1-azanyl-3-(6-chloranylnaphthalen-2-yl)sulfonyl-1-methyl-3-(1-pyridin-4-ylpiperidin-4-yl)-6-thiomorpholin-4-ylcarbonyl-piperazin-1-ium-2-one hydrochloride

Systemtic Name: 1-azanyl-3-(6-chloranylnaphthalen-2-yl)sulfonyl-1-methyl-3-(1-pyridin-4-ylpiperidin-4-yl)-6-thiomorpholin-4-ylcarbonyl-piperazin-1-ium-2-one hydrochloride Openeye Name: 1-amino-3-[(6-chloro-2-naphthyl)sulfonyl]-1-methyl-3-[1-(4-pyridyl)-4-piperidyl]-6-(thiomorpholine-4-carbonyl)piperazin-1-ium-2-one hydrochloride CAS Name: 1-amino-3-[(6-chloro-2-naphthalenyl)sulfonyl]-1-methyl-6-[oxo(thiomorpholin-4-yl)methyl]-3-(1-pyridin-4-yl-4-piperidinyl)-2-piperazin-1-iumone hydrochloride IUPAC Name: 1-amino-3-(6-chloronaphthalen-2-yl)sulfonyl-1-methyl-3-(1-pyridin-4-ylpiperidin-4-yl)-6-(thiomorpholine-4-carbonyl)piperazin-1-ium-2-one hydrochloride Traditional Name: 1-amino-3-[(6-chloro-2-naphthyl)sulfonyl]-1-methyl-3-[1-(4-pyridyl)-4-piperidyl]-6-(thiomorpholine-4-carbonyl)piperazin-1-ium-2-one hydrochloride Formula: C30H37Cl2N6O4S2+ MolecularWeight: 680.68858

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(C(CNC(C1=O)(C2CCN(CC2)C3=CC=NC=C3)S(=O)(=O)C4=CC5=C(C=C4)C=C(C=C5)Cl)C(=O)N6CCSCC6)N.Cl

Isomeric SMILES

C[N+]1(C(CNC(C1=O)(C2CCN(CC2)C3=CC=NC=C3)S(=O)(=O)C4=CC5=C(C=C4)C=C(C=C5)Cl)C(=O)N6CCSCC6)N.Cl

InChI

InChI=1S/C30H36ClN6O4S2.ClH/c1-37(32)27(28(38)36-14-16-42-17-15-36)20-34-30(29(37)39,23-8-12-35(13-9-23)25-6-10-33-11-7-25)43(40,41)26-5-3-21-18-24(31)4-2-22(21)19-26;/h2-7,10-11,18-19,23,27,34H,8-9,12-17,20,32H2,1H3;1H/q+1;