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

Systemtic Name: (2R)-N-(3,4-dimethoxyphenyl)-2-[4-(phenylmethyl)piperidin-1-ium-1-yl]propanamide Openeye Name: (2R)-2-(4-benzylpiperidin-1-ium-1-yl)-N-(3,4-dimethoxyphenyl)propanamide CAS Name: (2R)-N-(3,4-dimethoxyphenyl)-2-[4-(phenylmethyl)-1-piperidin-1-iumyl]propanamide IUPAC Name: (2R)-2-(4-benzylpiperidin-1-ium-1-yl)-N-(3,4-dimethoxyphenyl)propanamide Traditional Name: (2R)-2-(4-benzylpiperidin-1-ium-1-yl)-N-(3,4-dimethoxyphenyl)propionamide Formula: C23H31N2O3+ MolecularWeight: 383.50384

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=C(C=C1)OC)OC)[NH+]2CCC(CC2)CC3=CC=CC=C3

Isomeric SMILES

C[C@H](C(=O)NC1=CC(=C(C=C1)OC)OC)[NH+]2CCC(CC2)CC3=CC=CC=C3

InChI

InChI=1S/C23H30N2O3/c1-17(23(26)24-20-9-10-21(27-2)22(16-20)28-3)25-13-11-19(12-14-25)15-18-7-5-4-6-8-18/h4-10,16-17,19H,11-15H2,1-3H3,(H,24,26)/p+1/t17-/m1/s1