[(1R)-1-(2-methylphenyl)ethyl]-[(2S)-octan-2-yl]azanium

Systemtic Name: [(1R)-1-(2-methylphenyl)ethyl]-[(2S)-octan-2-yl]azanium Openeye Name: [(1S)-1-methylheptyl]-[(1R)-1-(o-tolyl)ethyl]ammonium CAS Name: [(1R)-1-(2-methylphenyl)ethyl]-[(2S)-octan-2-yl]ammonium IUPAC Name: [(1R)-1-(2-methylphenyl)ethyl]-[(2S)-octan-2-yl]azanium Traditional Name: [(1S)-1-methylheptyl]-[(1R)-1-(o-tolyl)ethyl]ammonium Formula: C17H30N+ MolecularWeight: 248.4268

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)[NH2+]C(C)C1=CC=CC=C1C

Isomeric SMILES

CCCCCC[C@H](C)[NH2+][C@H](C)C1=CC=CC=C1C

InChI

InChI=1S/C17H29N/c1-5-6-7-8-12-15(3)18-16(4)17-13-10-9-11-14(17)2/h9-11,13,15-16,18H,5-8,12H2,1-4H3/p+1/t15-,16+/m0/s1