3-(4-methylphenyl)-N-[(3S)-1-(phenylmethyl)pyrrolidin-1-ium-3-yl]thiophene-2-carboxamide

Systemtic Name: 3-(4-methylphenyl)-N-[(3S)-1-(phenylmethyl)pyrrolidin-1-ium-3-yl]thiophene-2-carboxamide Openeye Name: N-[(3S)-1-benzylpyrrolidin-1-ium-3-yl]-3-(p-tolyl)thiophene-2-carboxamide CAS Name: 3-(4-methylphenyl)-N-[(3S)-1-(phenylmethyl)-3-pyrrolidin-1-iumyl]-2-thiophenecarboxamide IUPAC Name: N-[(3S)-1-benzylpyrrolidin-1-ium-3-yl]-3-(4-methylphenyl)thiophene-2-carboxamide Traditional Name: N-[(3S)-1-benzylpyrrolidin-1-ium-3-yl]-3-(p-tolyl)thiophene-2-carboxamide Formula: C23H25N2OS+ MolecularWeight: 377.5224

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(SC=C2)C(=O)NC3CC[NH+](C3)CC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(SC=C2)C(=O)N[C@H]3CC[NH+](C3)CC4=CC=CC=C4

InChI

InChI=1S/C23H24N2OS/c1-17-7-9-19(10-8-17)21-12-14-27-22(21)23(26)24-20-11-13-25(16-20)15-18-5-3-2-4-6-18/h2-10,12,14,20H,11,13,15-16H2,1H3,(H,24,26)/p+1/t20-/m0/s1