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

Systemtic Name: 3-(4-methoxyphenyl)-N-[[1-(thiophen-2-ylmethyl)piperidin-1-ium-4-yl]methyl]propanamide Openeye Name: 3-(4-methoxyphenyl)-N-[[1-(2-thienylmethyl)piperidin-1-ium-4-yl]methyl]propanamide CAS Name: 3-(4-methoxyphenyl)-N-[[1-(thiophen-2-ylmethyl)-4-piperidin-1-iumyl]methyl]propanamide IUPAC Name: 3-(4-methoxyphenyl)-N-[[1-(thiophen-2-ylmethyl)piperidin-1-ium-4-yl]methyl]propanamide Traditional Name: 3-(4-methoxyphenyl)-N-[[1-(2-thenyl)piperidin-1-ium-4-yl]methyl]propionamide Formula: C21H29N2O2S+ MolecularWeight: 373.53216

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CCC(=O)NCC2CC[NH+](CC2)CC3=CC=CS3

Isomeric SMILES

COC1=CC=C(C=C1)CCC(=O)NCC2CC[NH+](CC2)CC3=CC=CS3

InChI

InChI=1S/C21H28N2O2S/c1-25-19-7-4-17(5-8-19)6-9-21(24)22-15-18-10-12-23(13-11-18)16-20-3-2-14-26-20/h2-5,7-8,14,18H,6,9-13,15-16H2,1H3,(H,22,24)/p+1