N-(3-methoxypropyl)-2-[(2R)-3-oxidanylidene-1-[(4-phenylphenyl)methyl]piperazin-1-ium-2-yl]ethanamide

Systemtic Name: N-(3-methoxypropyl)-2-[(2R)-3-oxidanylidene-1-[(4-phenylphenyl)methyl]piperazin-1-ium-2-yl]ethanamide Openeye Name: N-(3-methoxypropyl)-2-[(2R)-3-oxo-1-[(4-phenylphenyl)methyl]piperazin-1-ium-2-yl]acetamide CAS Name: N-(3-methoxypropyl)-2-[(2R)-3-oxo-1-[(4-phenylphenyl)methyl]-2-piperazin-1-iumyl]acetamide IUPAC Name: N-(3-methoxypropyl)-2-[(2R)-3-oxo-1-[(4-phenylphenyl)methyl]piperazin-1-ium-2-yl]acetamide Traditional Name: 2-[(2R)-3-keto-1-(4-phenylbenzyl)piperazin-1-ium-2-yl]-N-(3-methoxypropyl)acetamide Formula: C23H30N3O3+ MolecularWeight: 396.5026

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Descriptors Computed from Structure

Canonical SMILES:

COCCCNC(=O)CC1C(=O)NCC[NH+]1CC2=CC=C(C=C2)C3=CC=CC=C3

Isomeric SMILES

COCCCNC(=O)C[C@@H]1C(=O)NCC[NH+]1CC2=CC=C(C=C2)C3=CC=CC=C3

InChI

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