1-(4-chlorophenyl)sulfonyl-N-[1-(phenylmethyl)piperidin-1-ium-4-yl]piperidine-4-carboxamide

Systemtic Name: 1-(4-chlorophenyl)sulfonyl-N-[1-(phenylmethyl)piperidin-1-ium-4-yl]piperidine-4-carboxamide Openeye Name: N-(1-benzylpiperidin-1-ium-4-yl)-1-(4-chlorophenyl)sulfonyl-piperidine-4-carboxamide CAS Name: 1-(4-chlorophenyl)sulfonyl-N-[1-(phenylmethyl)-4-piperidin-1-iumyl]-4-piperidinecarboxamide IUPAC Name: N-(1-benzylpiperidin-1-ium-4-yl)-1-(4-chlorophenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-(1-benzylpiperidin-1-ium-4-yl)-1-(4-chlorophenyl)sulfonyl-isonipecotamide Formula: C24H31ClN3O3S+ MolecularWeight: 477.03924

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)Cl)CC4=CC=CC=C4

Isomeric SMILES

C1C[NH+](CCC1NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)Cl)CC4=CC=CC=C4

InChI

InChI=1S/C24H30ClN3O3S/c25-21-6-8-23(9-7-21)32(30,31)28-16-10-20(11-17-28)24(29)26-22-12-14-27(15-13-22)18-19-4-2-1-3-5-19/h1-9,20,22H,10-18H2,(H,26,29)/p+1