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

Systemtic Name: 1-azanyl-3-(6-chloranylnaphthalen-2-yl)sulfonyl-1-methyl-6-morpholin-4-ylcarbonyl-3-(1-pyridin-4-ylpiperidin-4-yl)piperazin-1-ium-2-one Openeye Name: 1-amino-3-[(6-chloro-2-naphthyl)sulfonyl]-1-methyl-6-(morpholine-4-carbonyl)-3-[1-(4-pyridyl)-4-piperidyl]piperazin-1-ium-2-one CAS Name: 1-amino-3-[(6-chloro-2-naphthalenyl)sulfonyl]-1-methyl-6-[4-morpholinyl(oxo)methyl]-3-(1-pyridin-4-yl-4-piperidinyl)-2-piperazin-1-iumone IUPAC Name: 1-amino-3-(6-chloronaphthalen-2-yl)sulfonyl-1-methyl-6-(morpholine-4-carbonyl)-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-(morpholine-4-carbonyl)-3-[1-(4-pyridyl)-4-piperidyl]piperazin-1-ium-2-one Formula: C30H36ClN6O5S+ MolecularWeight: 628.16204

Click to see the large picture

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)N6CCOCC6)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)C(=O)N6CCOCC6)N

InChI

InChI=1S/C30H36ClN6O5S/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/q+1