4-(6-chloranylnaphthalen-2-yl)sulfonyl-6-(4-methylpiperidin-1-yl)carbonyl-1-[methyl-(1-pyridin-4-ylpiperidin-1-ium-1-yl)amino]piperazin-2-one

Systemtic Name: 4-(6-chloranylnaphthalen-2-yl)sulfonyl-6-(4-methylpiperidin-1-yl)carbonyl-1-[methyl-(1-pyridin-4-ylpiperidin-1-ium-1-yl)amino]piperazin-2-one Openeye Name: 4-[(6-chloro-2-naphthyl)sulfonyl]-6-(4-methylpiperidine-1-carbonyl)-1-[methyl-[1-(4-pyridyl)piperidin-1-ium-1-yl]amino]piperazin-2-one CAS Name: 4-[(6-chloro-2-naphthalenyl)sulfonyl]-6-[(4-methyl-1-piperidinyl)-oxomethyl]-1-[methyl-(1-pyridin-4-yl-1-piperidin-1-iumyl)amino]-2-piperazinone IUPAC Name: 4-(6-chloronaphthalen-2-yl)sulfonyl-6-(4-methylpiperidine-1-carbonyl)-1-[methyl-(1-pyridin-4-ylpiperidin-1-ium-1-yl)amino]piperazin-2-one Traditional Name: 4-[(6-chloro-2-naphthyl)sulfonyl]-6-(4-methylpiperidine-1-carbonyl)-1-[methyl-[1-(4-pyridyl)piperidin-1-ium-1-yl]amino]piperazin-2-one Formula: C32H40ClN6O4S+ MolecularWeight: 640.2158

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C(=O)C2CN(CC(=O)N2N(C)[N+]3(CCCCC3)C4=CC=NC=C4)S(=O)(=O)C5=CC6=C(C=C5)C=C(C=C6)Cl

Isomeric SMILES

CC1CCN(CC1)C(=O)C2CN(CC(=O)N2N(C)[N+]3(CCCCC3)C4=CC=NC=C4)S(=O)(=O)C5=CC6=C(C=C5)C=C(C=C6)Cl

InChI

InChI=1S/C32H40ClN6O4S/c1-24-12-16-36(17-13-24)32(41)30-22-37(44(42,43)29-9-7-25-20-27(33)8-6-26(25)21-29)23-31(40)38(30)35(2)39(18-4-3-5-19-39)28-10-14-34-15-11-28/h6-11,14-15,20-21,24,30H,3-5,12-13,16-19,22-23H2,1-2H3/q+1