2-[(2R)-1-[(3,4-dimethoxyphenyl)methyl]-3-oxidanylidene-piperazin-1-ium-2-yl]-N-(3-phenylpropyl)ethanamide

Systemtic Name: 2-[(2R)-1-[(3,4-dimethoxyphenyl)methyl]-3-oxidanylidene-piperazin-1-ium-2-yl]-N-(3-phenylpropyl)ethanamide Openeye Name: 2-[(2R)-1-[(3,4-dimethoxyphenyl)methyl]-3-oxo-piperazin-1-ium-2-yl]-N-(3-phenylpropyl)acetamide CAS Name: 2-[(2R)-1-[(3,4-dimethoxyphenyl)methyl]-3-oxo-2-piperazin-1-iumyl]-N-(3-phenylpropyl)acetamide IUPAC Name: 2-[(2R)-1-[(3,4-dimethoxyphenyl)methyl]-3-oxopiperazin-1-ium-2-yl]-N-(3-phenylpropyl)acetamide Traditional Name: 2-[(2R)-3-keto-1-veratryl-piperazin-1-ium-2-yl]-N-(3-phenylpropyl)acetamide Formula: C24H32N3O4+ MolecularWeight: 426.52858

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C[NH+]2CCNC(=O)C2CC(=O)NCCCC3=CC=CC=C3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C[NH+]2CCNC(=O)[C@H]2CC(=O)NCCCC3=CC=CC=C3)OC

InChI

InChI=1S/C24H31N3O4/c1-30-21-11-10-19(15-22(21)31-2)17-27-14-13-26-24(29)20(27)16-23(28)25-12-6-9-18-7-4-3-5-8-18/h3-5,7-8,10-11,15,20H,6,9,12-14,16-17H2,1-2H3,(H,25,28)(H,26,29)/p+1/t20-/m1/s1