1-(5-chloranyl-2-methyl-phenyl)sulfonyl-N-[1-(phenylmethyl)piperidin-1-ium-4-yl]piperidine-4-carboxamide

Systemtic Name: 1-(5-chloranyl-2-methyl-phenyl)sulfonyl-N-[1-(phenylmethyl)piperidin-1-ium-4-yl]piperidine-4-carboxamide Openeye Name: N-(1-benzylpiperidin-1-ium-4-yl)-1-(5-chloro-2-methyl-phenyl)sulfonyl-piperidine-4-carboxamide CAS Name: 1-(5-chloro-2-methylphenyl)sulfonyl-N-[1-(phenylmethyl)-4-piperidin-1-iumyl]-4-piperidinecarboxamide IUPAC Name: N-(1-benzylpiperidin-1-ium-4-yl)-1-(5-chloro-2-methylphenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-(1-benzylpiperidin-1-ium-4-yl)-1-(5-chloro-2-methyl-phenyl)sulfonyl-isonipecotamide Formula: C25H33ClN3O3S+ MolecularWeight: 491.06582

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Cl)S(=O)(=O)N2CCC(CC2)C(=O)NC3CC[NH+](CC3)CC4=CC=CC=C4

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)S(=O)(=O)N2CCC(CC2)C(=O)NC3CC[NH+](CC3)CC4=CC=CC=C4

InChI

InChI=1S/C25H32ClN3O3S/c1-19-7-8-22(26)17-24(19)33(31,32)29-15-9-21(10-16-29)25(30)27-23-11-13-28(14-12-23)18-20-5-3-2-4-6-20/h2-8,17,21,23H,9-16,18H2,1H3,(H,27,30)/p+1