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

Systemtic Name: 3-[(3R)-1-(cyclopropylmethyl)piperidin-1-ium-3-yl]-N-[(2,4-dimethoxyphenyl)methyl]propanamide Openeye Name: 3-[(3R)-1-(cyclopropylmethyl)piperidin-1-ium-3-yl]-N-[(2,4-dimethoxyphenyl)methyl]propanamide CAS Name: 3-[(3R)-1-(cyclopropylmethyl)-3-piperidin-1-iumyl]-N-[(2,4-dimethoxyphenyl)methyl]propanamide IUPAC Name: 3-[(3R)-1-(cyclopropylmethyl)piperidin-1-ium-3-yl]-N-[(2,4-dimethoxyphenyl)methyl]propanamide Traditional Name: 3-[(3R)-1-(cyclopropylmethyl)piperidin-1-ium-3-yl]-N-(2,4-dimethoxybenzyl)propionamide Formula: C21H33N2O3+ MolecularWeight: 361.49832

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)CNC(=O)CCC2CCC[NH+](C2)CC3CC3)OC

Isomeric SMILES

COC1=CC(=C(C=C1)CNC(=O)CC[C@H]2CCC[NH+](C2)CC3CC3)OC

InChI

InChI=1S/C21H32N2O3/c1-25-19-9-8-18(20(12-19)26-2)13-22-21(24)10-7-16-4-3-11-23(14-16)15-17-5-6-17/h8-9,12,16-17H,3-7,10-11,13-15H2,1-2H3,(H,22,24)/p+1/t16-/m1/s1