(4-methylphenyl)methyl-[(2R)-1-oxidanylidene-1-[[(2R)-4-phenylbutan-2-yl]amino]propan-2-yl]azanium

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C[NH2+]C(C)C(=O)NC(C)CCC2=CC=CC=C2

Isomeric SMILES

CC1=CC=C(C=C1)C[NH2+][C@H](C)C(=O)N[C@H](C)CCC2=CC=CC=C2

InChI

InChI=1S/C21H28N2O/c1-16-9-12-20(13-10-16)15-22-18(3)21(24)23-17(2)11-14-19-7-5-4-6-8-19/h4-10,12-13,17-18,22H,11,14-15H2,1-3H3,(H,23,24)/p+1/t17-,18-/m1/s1