3-[methyl(phenyl)amino]propyl-[(2S)-octan-2-yl]azanium

Systemtic Name: 3-[methyl(phenyl)amino]propyl-[(2S)-octan-2-yl]azanium Openeye Name: 3-(N-methylanilino)propyl-[(1S)-1-methylheptyl]ammonium CAS Name: 3-(N-methylanilino)propyl-[(2S)-octan-2-yl]ammonium IUPAC Name: 3-(N-methylanilino)propyl-[(2S)-octan-2-yl]azanium Traditional Name: 3-(N-methylanilino)propyl-[(1S)-1-methylheptyl]ammonium Formula: C18H33N2+ MolecularWeight: 277.46802

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H32N2/c1-4-5-6-8-12-17(2)19-15-11-16-20(3)18-13-9-7-10-14-18/h7,9-10,13-14,17,19H,4-6,8,11-12,15-16H2,1-3H3/p+1/t17-/m0/s1