4-[4-[4-[(4-chlorophenyl)methyl]piperazin-4-ium-1-yl]carbonylpiperidin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 4-[4-[4-[(4-chlorophenyl)methyl]piperazin-4-ium-1-yl]carbonylpiperidin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 4-[[4-[4-[(4-chlorophenyl)methyl]piperazin-4-ium-1-carbonyl]-1-piperidyl]sulfonyl]benzonitrile CAS Name: 4-[[4-[[4-[(4-chlorophenyl)methyl]-1-piperazin-4-iumyl]-oxomethyl]-1-piperidinyl]sulfonyl]benzonitrile IUPAC Name: 4-[4-[4-[(4-chlorophenyl)methyl]piperazin-4-ium-1-carbonyl]piperidin-1-yl]sulfonylbenzonitrile Traditional Name: 4-[4-[4-(4-chlorobenzyl)piperazin-4-ium-1-carbonyl]piperidino]sulfonylbenzonitrile Formula: C24H28ClN4O3S+ MolecularWeight: 488.02212

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)N2CC[NH+](CC2)CC3=CC=C(C=C3)Cl)S(=O)(=O)C4=CC=C(C=C4)C#N

Isomeric SMILES

C1CN(CCC1C(=O)N2CC[NH+](CC2)CC3=CC=C(C=C3)Cl)S(=O)(=O)C4=CC=C(C=C4)C#N

InChI

InChI=1S/C24H27ClN4O3S/c25-22-5-1-20(2-6-22)18-27-13-15-28(16-14-27)24(30)21-9-11-29(12-10-21)33(31,32)23-7-3-19(17-26)4-8-23/h1-8,21H,9-16,18H2/p+1