methyl-[(2-methylphenyl)methyl]-[3-oxidanylidene-3-[[(1S)-1-phenylethyl]amino]propyl]azanium

Systemtic Name: methyl-[(2-methylphenyl)methyl]-[3-oxidanylidene-3-[[(1S)-1-phenylethyl]amino]propyl]azanium Openeye Name: methyl-(o-tolylmethyl)-[3-oxo-3-[[(1S)-1-phenylethyl]amino]propyl]ammonium CAS Name: methyl-[(2-methylphenyl)methyl]-[3-oxo-3-[[(1S)-1-phenylethyl]amino]propyl]ammonium IUPAC Name: methyl-[(2-methylphenyl)methyl]-[3-oxo-3-[[(1S)-1-phenylethyl]amino]propyl]azanium Traditional Name: [3-keto-3-[[(1S)-1-phenylethyl]amino]propyl]-methyl-(2-methylbenzyl)ammonium Formula: C20H27N2O+ MolecularWeight: 311.44118

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H26N2O/c1-16-9-7-8-12-19(16)15-22(3)14-13-20(23)21-17(2)18-10-5-4-6-11-18/h4-12,17H,13-15H2,1-3H3,(H,21,23)/p+1/t17-/m0/s1