N-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-yl-ethyl]-3-methyl-thiophene-2-carboxamide

Systemtic Name: N-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-yl-ethyl]-3-methyl-thiophene-2-carboxamide Openeye Name: N-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-yl-ethyl]-3-methyl-thiophene-2-carboxamide CAS Name: N-[(2S)-2-(4-methoxyphenyl)-2-(1-piperidin-1-iumyl)ethyl]-3-methyl-2-thiophenecarboxamide IUPAC Name: N-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-ylethyl]-3-methylthiophene-2-carboxamide Traditional Name: N-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-yl-ethyl]-3-methyl-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+]3CCCCC3

Isomeric SMILES

CC1=C(SC=C1)C(=O)NC[C@H](C2=CC=C(C=C2)OC)[NH+]3CCCCC3

InChI

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