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

Systemtic Name: 1-azanyl-3-(6-chloranylnaphthalen-2-yl)sulfonyl-6-(hydroxymethyl)-1-methyl-3-(1-pyridin-4-ylpiperidin-4-yl)piperazin-1-ium-2-one Openeye Name: 1-amino-3-[(6-chloro-2-naphthyl)sulfonyl]-6-(hydroxymethyl)-1-methyl-3-[1-(4-pyridyl)-4-piperidyl]piperazin-1-ium-2-one CAS Name: 1-amino-3-[(6-chloro-2-naphthalenyl)sulfonyl]-6-(hydroxymethyl)-1-methyl-3-(1-pyridin-4-yl-4-piperidinyl)-2-piperazin-1-iumone IUPAC Name: 1-amino-3-(6-chloronaphthalen-2-yl)sulfonyl-6-(hydroxymethyl)-1-methyl-3-(1-pyridin-4-ylpiperidin-4-yl)piperazin-1-ium-2-one Traditional Name: 1-amino-3-[(6-chloro-2-naphthyl)sulfonyl]-1-methyl-6-methylol-3-[1-(4-pyridyl)-4-piperidyl]piperazin-1-ium-2-one Formula: C26H31ClN5O4S+ MolecularWeight: 545.07344

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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)CO)N

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)CO)N

InChI

InChI=1S/C26H31ClN5O4S/c1-32(28)23(17-33)16-30-26(25(32)34,20-8-12-31(13-9-20)22-6-10-29-11-7-22)37(35,36)24-5-3-18-14-21(27)4-2-19(18)15-24/h2-7,10-11,14-15,20,23,30,33H,8-9,12-13,16-17,28H2,1H3/q+1