[(1R)-2-[(2,5-dimethylphenyl)amino]-2-oxidanylidene-1-phenyl-ethyl]-pentan-3-yl-azanium

Systemtic Name: [(1R)-2-[(2,5-dimethylphenyl)amino]-2-oxidanylidene-1-phenyl-ethyl]-pentan-3-yl-azanium Openeye Name: [(1R)-2-(2,5-dimethylanilino)-2-oxo-1-phenyl-ethyl]-(1-ethylpropyl)ammonium CAS Name: [(1R)-2-(2,5-dimethylanilino)-2-oxo-1-phenylethyl]-pentan-3-ylammonium IUPAC Name: [(1R)-2-(2,5-dimethylanilino)-2-oxo-1-phenylethyl]-pentan-3-ylazanium Traditional Name: [(1R)-2-(2,5-dimethylanilino)-2-keto-1-phenyl-ethyl]-(1-ethylpropyl)ammonium Formula: C21H29N2O+ MolecularWeight: 325.46776

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)[NH2+]C(C1=CC=CC=C1)C(=O)NC2=C(C=CC(=C2)C)C

Isomeric SMILES

CCC(CC)[NH2+][C@H](C1=CC=CC=C1)C(=O)NC2=C(C=CC(=C2)C)C

InChI

InChI=1S/C21H28N2O/c1-5-18(6-2)22-20(17-10-8-7-9-11-17)21(24)23-19-14-15(3)12-13-16(19)4/h7-14,18,20,22H,5-6H2,1-4H3,(H,23,24)/p+1/t20-/m1/s1