methyl-[(2S)-1-[(2-methyl-6-propan-2-yl-phenyl)amino]-1-oxidanylidene-propan-2-yl]-(phenylmethyl)azanium

Systemtic Name: methyl-[(2S)-1-[(2-methyl-6-propan-2-yl-phenyl)amino]-1-oxidanylidene-propan-2-yl]-(phenylmethyl)azanium Openeye Name: benzyl-[(1S)-2-(2-isopropyl-6-methyl-anilino)-1-methyl-2-oxo-ethyl]-methyl-ammonium CAS Name: methyl-[(2S)-1-(2-methyl-6-propan-2-ylanilino)-1-oxopropan-2-yl]-(phenylmethyl)ammonium IUPAC Name: benzyl-methyl-[(2S)-1-(2-methyl-6-propan-2-ylanilino)-1-oxopropan-2-yl]azanium Traditional Name: benzyl-[(1S)-2-(2-isopropyl-6-methyl-anilino)-2-keto-1-methyl-ethyl]-methyl-ammonium Formula: C21H29N2O+ MolecularWeight: 325.46776

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C(C)C)NC(=O)C(C)[NH+](C)CC2=CC=CC=C2

Isomeric SMILES

CC1=C(C(=CC=C1)C(C)C)NC(=O)[C@H](C)[NH+](C)CC2=CC=CC=C2

InChI

InChI=1S/C21H28N2O/c1-15(2)19-13-9-10-16(3)20(19)22-21(24)17(4)23(5)14-18-11-7-6-8-12-18/h6-13,15,17H,14H2,1-5H3,(H,22,24)/p+1/t17-/m0/s1