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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H29N3O3/c1-23(2,16-27)25-21(28)14-20-22(29)24-12-13-26(20)15-17-8-10-19(11-9-17)18-6-4-3-5-7-18/h3-11,20,27H,12-16H2,1-2H3,(H,24,29)(H,25,28)/p+1/t20-/m1/s1