N-[3-(azepan-1-ium-1-yl)propyl]-1-(2,3,5,6-tetramethylphenyl)sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-[3-(azepan-1-ium-1-yl)propyl]-1-(2,3,5,6-tetramethylphenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-[3-(azepan-1-ium-1-yl)propyl]-1-(2,3,5,6-tetramethylphenyl)sulfonyl-piperidine-4-carboxamide CAS Name: N-[3-(1-azepan-1-iumyl)propyl]-1-(2,3,5,6-tetramethylphenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-[3-(azepan-1-ium-1-yl)propyl]-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-[3-(azepan-1-ium-1-yl)propyl]-1-(2,3,5,6-tetramethylphenyl)sulfonyl-isonipecotamide Formula: C25H42N3O3S+ MolecularWeight: 464.68428

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1C)S(=O)(=O)N2CCC(CC2)C(=O)NCCC[NH+]3CCCCCC3)C)C

Isomeric SMILES

CC1=CC(=C(C(=C1C)S(=O)(=O)N2CCC(CC2)C(=O)NCCC[NH+]3CCCCCC3)C)C

InChI

InChI=1S/C25H41N3O3S/c1-19-18-20(2)22(4)24(21(19)3)32(30,31)28-16-10-23(11-17-28)25(29)26-12-9-15-27-13-7-5-6-8-14-27/h18,23H,5-17H2,1-4H3,(H,26,29)/p+1