[2-(3-methylbutylamino)-2-oxidanylidene-ethyl]-[(S)-(4-methylphenyl)-phenyl-methyl]azanium

Systemtic Name: [2-(3-methylbutylamino)-2-oxidanylidene-ethyl]-[(S)-(4-methylphenyl)-phenyl-methyl]azanium Openeye Name: [2-(isopentylamino)-2-oxo-ethyl]-[(S)-phenyl(p-tolyl)methyl]ammonium CAS Name: [2-(3-methylbutylamino)-2-oxoethyl]-[(S)-(4-methylphenyl)-phenylmethyl]ammonium IUPAC Name: [2-(3-methylbutylamino)-2-oxoethyl]-[(S)-(4-methylphenyl)-phenylmethyl]azanium Traditional Name: [2-(isoamylamino)-2-keto-ethyl]-[(S)-phenyl(p-tolyl)methyl]ammonium Formula: C21H29N2O+ MolecularWeight: 325.46776

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28N2O/c1-16(2)13-14-22-20(24)15-23-21(18-7-5-4-6-8-18)19-11-9-17(3)10-12-19/h4-12,16,21,23H,13-15H2,1-3H3,(H,22,24)/p+1/t21-/m0/s1