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

Systemtic Name: [(2S)-heptan-2-yl]-[3-[methyl(phenyl)amino]propyl]azanium Openeye Name: 3-(N-methylanilino)propyl-[(1S)-1-methylhexyl]ammonium CAS Name: [(2S)-heptan-2-yl]-[3-(N-methylanilino)propyl]ammonium IUPAC Name: [(2S)-heptan-2-yl]-[3-(N-methylanilino)propyl]azanium Traditional Name: 3-(N-methylanilino)propyl-[(1S)-1-methylhexyl]ammonium Formula: C17H31N2+ MolecularWeight: 263.44144

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H30N2/c1-4-5-7-11-16(2)18-14-10-15-19(3)17-12-8-6-9-13-17/h6,8-9,12-13,16,18H,4-5,7,10-11,14-15H2,1-3H3/p+1/t16-/m0/s1