methyl-[(2-methylphenyl)methyl]-[2-oxidanylidene-2-[[(2S)-4-phenylbutan-2-yl]amino]ethyl]azanium

Systemtic Name: methyl-[(2-methylphenyl)methyl]-[2-oxidanylidene-2-[[(2S)-4-phenylbutan-2-yl]amino]ethyl]azanium Openeye Name: methyl-[2-[[(1S)-1-methyl-3-phenyl-propyl]amino]-2-oxo-ethyl]-(o-tolylmethyl)ammonium CAS Name: methyl-[(2-methylphenyl)methyl]-[2-oxo-2-[[(2S)-4-phenylbutan-2-yl]amino]ethyl]ammonium IUPAC Name: methyl-[(2-methylphenyl)methyl]-[2-oxo-2-[[(2S)-4-phenylbutan-2-yl]amino]ethyl]azanium Traditional Name: [2-keto-2-[[(1S)-1-methyl-3-phenyl-propyl]amino]ethyl]-methyl-(2-methylbenzyl)ammonium Formula: C21H29N2O+ MolecularWeight: 325.46776

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C[NH+](C)CC(=O)NC(C)CCC2=CC=CC=C2

Isomeric SMILES

CC1=CC=CC=C1C[NH+](C)CC(=O)N[C@@H](C)CCC2=CC=CC=C2

InChI

InChI=1S/C21H28N2O/c1-17-9-7-8-12-20(17)15-23(3)16-21(24)22-18(2)13-14-19-10-5-4-6-11-19/h4-12,18H,13-16H2,1-3H3,(H,22,24)/p+1/t18-/m0/s1