N-[(2S)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-4,5-dimethyl-thiophene-2-carboxamide

Systemtic Name: N-[(2S)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-4,5-dimethyl-thiophene-2-carboxamide Openeye Name: N-[(2S)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-4,5-dimethyl-thiophene-2-carboxamide CAS Name: N-[(2S)-2-(4-methoxyphenyl)-2-(1-pyrrolidin-1-iumyl)ethyl]-4,5-dimethyl-2-thiophenecarboxamide IUPAC Name: N-[(2S)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-ylethyl]-4,5-dimethylthiophene-2-carboxamide Traditional Name: N-[(2S)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-4,5-dimethyl-thiophene-2-carboxamide Formula: C20H27N2O2S+ MolecularWeight: 359.50558

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1)C(=O)NCC(C2=CC=C(C=C2)OC)[NH+]3CCCC3)C

Isomeric SMILES

CC1=C(SC(=C1)C(=O)NC[C@H](C2=CC=C(C=C2)OC)[NH+]3CCCC3)C

InChI

InChI=1S/C20H26N2O2S/c1-14-12-19(25-15(14)2)20(23)21-13-18(22-10-4-5-11-22)16-6-8-17(24-3)9-7-16/h6-9,12,18H,4-5,10-11,13H2,1-3H3,(H,21,23)/p+1/t18-/m1/s1