(2-methylphenyl)-[(2S)-1-oxidanylidene-1-[(phenylmethyl)-propan-2-yl-amino]propan-2-yl]azanium

Systemtic Name: (2-methylphenyl)-[(2S)-1-oxidanylidene-1-[(phenylmethyl)-propan-2-yl-amino]propan-2-yl]azanium Openeye Name: [(1S)-2-[benzyl(isopropyl)amino]-1-methyl-2-oxo-ethyl]-(o-tolyl)ammonium CAS Name: (2-methylphenyl)-[(2S)-1-oxo-1-[(phenylmethyl)-propan-2-ylamino]propan-2-yl]ammonium IUPAC Name: [(2S)-1-[benzyl(propan-2-yl)amino]-1-oxopropan-2-yl]-(2-methylphenyl)azanium Traditional Name: [(1S)-2-[benzyl(isopropyl)amino]-2-keto-1-methyl-ethyl]-(o-tolyl)ammonium Formula: C20H27N2O+ MolecularWeight: 311.44118

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1[NH2+]C(C)C(=O)N(CC2=CC=CC=C2)C(C)C

Isomeric SMILES

CC1=CC=CC=C1[NH2+][C@@H](C)C(=O)N(CC2=CC=CC=C2)C(C)C

InChI

InChI=1S/C20H26N2O/c1-15(2)22(14-18-11-6-5-7-12-18)20(23)17(4)21-19-13-9-8-10-16(19)3/h5-13,15,17,21H,14H2,1-4H3/p+1/t17-/m0/s1