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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CNC(=O)CC2C(=O)NCC[NH+]2CCCC3=CC=CC=C3

Isomeric SMILES

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

InChI

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