N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]-1-(2,4,6-trimethylphenyl)sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]-1-(2,4,6-trimethylphenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]-1-(2,4,6-trimethylphenyl)sulfonyl-piperidine-4-carboxamide CAS Name: N-[[4-(1-pyrrolidin-1-iumylmethyl)phenyl]methyl]-1-(2,4,6-trimethylphenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide Traditional Name: 1-mesitylsulfonyl-N-[4-(pyrrolidin-1-ium-1-ylmethyl)benzyl]isonipecotamide Formula: C27H38N3O3S+ MolecularWeight: 484.67392

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)S(=O)(=O)N2CCC(CC2)C(=O)NCC3=CC=C(C=C3)C[NH+]4CCCC4)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)S(=O)(=O)N2CCC(CC2)C(=O)NCC3=CC=C(C=C3)C[NH+]4CCCC4)C

InChI

InChI=1S/C27H37N3O3S/c1-20-16-21(2)26(22(3)17-20)34(32,33)30-14-10-25(11-15-30)27(31)28-18-23-6-8-24(9-7-23)19-29-12-4-5-13-29/h6-9,16-17,25H,4-5,10-15,18-19H2,1-3H3,(H,28,31)/p+1