cyclopentyl-[(1S)-2-[(2,5-dimethylphenyl)amino]-2-oxidanylidene-1-phenyl-ethyl]azanium

Systemtic Name: cyclopentyl-[(1S)-2-[(2,5-dimethylphenyl)amino]-2-oxidanylidene-1-phenyl-ethyl]azanium Openeye Name: cyclopentyl-[(1S)-2-(2,5-dimethylanilino)-2-oxo-1-phenyl-ethyl]ammonium CAS Name: cyclopentyl-[(1S)-2-(2,5-dimethylanilino)-2-oxo-1-phenylethyl]ammonium IUPAC Name: cyclopentyl-[(1S)-2-(2,5-dimethylanilino)-2-oxo-1-phenylethyl]azanium Traditional Name: cyclopentyl-[(1S)-2-(2,5-dimethylanilino)-2-keto-1-phenyl-ethyl]ammonium Formula: C21H27N2O+ MolecularWeight: 323.45188

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)NC(=O)C(C2=CC=CC=C2)[NH2+]C3CCCC3

Isomeric SMILES

CC1=CC(=C(C=C1)C)NC(=O)[C@H](C2=CC=CC=C2)[NH2+]C3CCCC3

InChI

InChI=1S/C21H26N2O/c1-15-12-13-16(2)19(14-15)23-21(24)20(17-8-4-3-5-9-17)22-18-10-6-7-11-18/h3-5,8-9,12-14,18,20,22H,6-7,10-11H2,1-2H3,(H,23,24)/p+1/t20-/m0/s1