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

Systemtic Name: N-[(2,4-dimethoxyphenyl)methyl]-3-[(3R)-1-(3-phenylpropyl)piperidin-1-ium-3-yl]propanamide Openeye Name: N-[(2,4-dimethoxyphenyl)methyl]-3-[(3R)-1-(3-phenylpropyl)piperidin-1-ium-3-yl]propanamide CAS Name: N-[(2,4-dimethoxyphenyl)methyl]-3-[(3R)-1-(3-phenylpropyl)-3-piperidin-1-iumyl]propanamide IUPAC Name: N-[(2,4-dimethoxyphenyl)methyl]-3-[(3R)-1-(3-phenylpropyl)piperidin-1-ium-3-yl]propanamide Traditional Name: N-(2,4-dimethoxybenzyl)-3-[(3R)-1-(3-phenylpropyl)piperidin-1-ium-3-yl]propionamide Formula: C26H37N2O3+ MolecularWeight: 425.58358

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)CNC(=O)CCC2CCC[NH+](C2)CCCC3=CC=CC=C3)OC

Isomeric SMILES

COC1=CC(=C(C=C1)CNC(=O)CC[C@H]2CCC[NH+](C2)CCCC3=CC=CC=C3)OC

InChI

InChI=1S/C26H36N2O3/c1-30-24-14-13-23(25(18-24)31-2)19-27-26(29)15-12-22-11-7-17-28(20-22)16-6-10-21-8-4-3-5-9-21/h3-5,8-9,13-14,18,22H,6-7,10-12,15-17,19-20H2,1-2H3,(H,27,29)/p+1/t22-/m1/s1