(3S)-1-(5-methylthiophen-2-yl)sulfonyl-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]piperidine-3-carboxamide

Systemtic Name: (3S)-1-(5-methylthiophen-2-yl)sulfonyl-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]piperidine-3-carboxamide Openeye Name: (3S)-1-[(5-methyl-2-thienyl)sulfonyl]-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]piperidine-3-carboxamide CAS Name: (3S)-1-[(5-methyl-2-thiophenyl)sulfonyl]-N-[[2-(1-pyrrolidin-1-iumylmethyl)phenyl]methyl]-3-piperidinecarboxamide IUPAC Name: (3S)-1-(5-methylthiophen-2-yl)sulfonyl-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]piperidine-3-carboxamide Traditional Name: (3S)-1-[(5-methyl-2-thienyl)sulfonyl]-N-[2-(pyrrolidin-1-ium-1-ylmethyl)benzyl]nipecotamide Formula: C23H32N3O3S2+ MolecularWeight: 462.64848

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)S(=O)(=O)N2CCCC(C2)C(=O)NCC3=CC=CC=C3C[NH+]4CCCC4

Isomeric SMILES

CC1=CC=C(S1)S(=O)(=O)N2CCC[C@@H](C2)C(=O)NCC3=CC=CC=C3C[NH+]4CCCC4

InChI

InChI=1S/C23H31N3O3S2/c1-18-10-11-22(30-18)31(28,29)26-14-6-9-21(17-26)23(27)24-15-19-7-2-3-8-20(19)16-25-12-4-5-13-25/h2-3,7-8,10-11,21H,4-6,9,12-17H2,1H3,(H,24,27)/p+1/t21-/m0/s1