1-(1-methylpyrrol-3-yl)sulfonyl-N-[(3S)-1-(phenylmethyl)pyrrolidin-1-ium-3-yl]piperidine-4-carboxamide

Systemtic Name: 1-(1-methylpyrrol-3-yl)sulfonyl-N-[(3S)-1-(phenylmethyl)pyrrolidin-1-ium-3-yl]piperidine-4-carboxamide Openeye Name: N-[(3S)-1-benzylpyrrolidin-1-ium-3-yl]-1-(1-methylpyrrol-3-yl)sulfonyl-piperidine-4-carboxamide CAS Name: 1-[(1-methyl-3-pyrrolyl)sulfonyl]-N-[(3S)-1-(phenylmethyl)-3-pyrrolidin-1-iumyl]-4-piperidinecarboxamide IUPAC Name: N-[(3S)-1-benzylpyrrolidin-1-ium-3-yl]-1-(1-methylpyrrol-3-yl)sulfonylpiperidine-4-carboxamide Traditional Name: N-[(3S)-1-benzylpyrrolidin-1-ium-3-yl]-1-(1-methylpyrrol-3-yl)sulfonyl-isonipecotamide Formula: C22H31N4O3S+ MolecularWeight: 431.57154

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC(=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC3CC[NH+](C3)CC4=CC=CC=C4

Isomeric SMILES

CN1C=CC(=C1)S(=O)(=O)N2CCC(CC2)C(=O)N[C@H]3CC[NH+](C3)CC4=CC=CC=C4

InChI

InChI=1S/C22H30N4O3S/c1-24-11-10-21(17-24)30(28,29)26-13-7-19(8-14-26)22(27)23-20-9-12-25(16-20)15-18-5-3-2-4-6-18/h2-6,10-11,17,19-20H,7-9,12-16H2,1H3,(H,23,27)/p+1/t20-/m0/s1