N-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-yl-ethyl]-3-thiophen-3-yl-propanamide

Systemtic Name: N-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-yl-ethyl]-3-thiophen-3-yl-propanamide Openeye Name: N-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-yl-ethyl]-3-(3-thienyl)propanamide CAS Name: N-[(2R)-2-(4-methoxyphenyl)-2-(1-piperidin-1-iumyl)ethyl]-3-(3-thiophenyl)propanamide IUPAC Name: N-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-ylethyl]-3-thiophen-3-ylpropanamide Traditional Name: N-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-yl-ethyl]-3-(3-thienyl)propionamide Formula: C21H29N2O2S+ MolecularWeight: 373.53216

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(CNC(=O)CCC2=CSC=C2)[NH+]3CCCCC3

Isomeric SMILES

COC1=CC=C(C=C1)[C@H](CNC(=O)CCC2=CSC=C2)[NH+]3CCCCC3

InChI

InChI=1S/C21H28N2O2S/c1-25-19-8-6-18(7-9-19)20(23-12-3-2-4-13-23)15-22-21(24)10-5-17-11-14-26-16-17/h6-9,11,14,16,20H,2-5,10,12-13,15H2,1H3,(H,22,24)/p+1/t20-/m0/s1