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

Systemtic Name: 2-[(2R)-1-[(3-methoxyphenyl)methyl]-3-oxidanylidene-piperazin-1-ium-2-yl]-N-(3-phenylpropyl)ethanamide Openeye Name: 2-[(2R)-1-[(3-methoxyphenyl)methyl]-3-oxo-piperazin-1-ium-2-yl]-N-(3-phenylpropyl)acetamide CAS Name: 2-[(2R)-1-[(3-methoxyphenyl)methyl]-3-oxo-2-piperazin-1-iumyl]-N-(3-phenylpropyl)acetamide IUPAC Name: 2-[(2R)-1-[(3-methoxyphenyl)methyl]-3-oxopiperazin-1-ium-2-yl]-N-(3-phenylpropyl)acetamide Traditional Name: 2-[(2R)-3-keto-1-m-anisyl-piperazin-1-ium-2-yl]-N-(3-phenylpropyl)acetamide Formula: C23H30N3O3+ MolecularWeight: 396.5026

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H29N3O3/c1-29-20-11-5-9-19(15-20)17-26-14-13-25-23(28)21(26)16-22(27)24-12-6-10-18-7-3-2-4-8-18/h2-5,7-9,11,15,21H,6,10,12-14,16-17H2,1H3,(H,24,27)(H,25,28)/p+1/t21-/m1/s1