(2S)-N-[(3,4-dimethoxyphenyl)methyl]-2-[(3S)-3-methylpiperidin-1-ium-1-yl]propanamide

Systemtic Name: (2S)-N-[(3,4-dimethoxyphenyl)methyl]-2-[(3S)-3-methylpiperidin-1-ium-1-yl]propanamide Openeye Name: (2S)-N-[(3,4-dimethoxyphenyl)methyl]-2-[(3S)-3-methylpiperidin-1-ium-1-yl]propanamide CAS Name: (2S)-N-[(3,4-dimethoxyphenyl)methyl]-2-[(3S)-3-methyl-1-piperidin-1-iumyl]propanamide IUPAC Name: (2S)-N-[(3,4-dimethoxyphenyl)methyl]-2-[(3S)-3-methylpiperidin-1-ium-1-yl]propanamide Traditional Name: (2S)-2-[(3S)-3-methylpiperidin-1-ium-1-yl]-N-veratryl-propionamide Formula: C18H29N2O3+ MolecularWeight: 321.43446

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC[NH+](C1)C(C)C(=O)NCC2=CC(=C(C=C2)OC)OC

Isomeric SMILES

C[C@H]1CCC[NH+](C1)[C@@H](C)C(=O)NCC2=CC(=C(C=C2)OC)OC

InChI

InChI=1S/C18H28N2O3/c1-13-6-5-9-20(12-13)14(2)18(21)19-11-15-7-8-16(22-3)17(10-15)23-4/h7-8,10,13-14H,5-6,9,11-12H2,1-4H3,(H,19,21)/p+1/t13-,14-/m0/s1