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

Systemtic Name: N-[(2,4-dimethoxyphenyl)methyl]-3-[(3R)-1-(thiophen-2-ylmethyl)piperidin-1-ium-3-yl]propanamide Openeye Name: N-[(2,4-dimethoxyphenyl)methyl]-3-[(3R)-1-(2-thienylmethyl)piperidin-1-ium-3-yl]propanamide CAS Name: N-[(2,4-dimethoxyphenyl)methyl]-3-[(3R)-1-(thiophen-2-ylmethyl)-3-piperidin-1-iumyl]propanamide IUPAC Name: N-[(2,4-dimethoxyphenyl)methyl]-3-[(3R)-1-(thiophen-2-ylmethyl)piperidin-1-ium-3-yl]propanamide Traditional Name: N-(2,4-dimethoxybenzyl)-3-[(3R)-1-(2-thenyl)piperidin-1-ium-3-yl]propionamide Formula: C22H31N2O3S+ MolecularWeight: 403.55814

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)CNC(=O)CCC2CCC[NH+](C2)CC3=CC=CS3)OC

Isomeric SMILES

COC1=CC(=C(C=C1)CNC(=O)CC[C@H]2CCC[NH+](C2)CC3=CC=CS3)OC

InChI

InChI=1S/C22H30N2O3S/c1-26-19-9-8-18(21(13-19)27-2)14-23-22(25)10-7-17-5-3-11-24(15-17)16-20-6-4-12-28-20/h4,6,8-9,12-13,17H,3,5,7,10-11,14-16H2,1-2H3,(H,23,25)/p+1/t17-/m1/s1