(4-dimethylaminophenyl)methyl-[(2S)-heptan-2-yl]azanium

Systemtic Name: (4-dimethylaminophenyl)methyl-[(2S)-heptan-2-yl]azanium Openeye Name: (4-dimethylaminophenyl)methyl-[(1S)-1-methylhexyl]ammonium CAS Name: (4-dimethylaminophenyl)methyl-[(2S)-heptan-2-yl]ammonium IUPAC Name: (4-dimethylaminophenyl)methyl-[(2S)-heptan-2-yl]azanium Traditional Name: [4-(dimethylamino)benzyl]-[(1S)-1-methylhexyl]ammonium Formula: C16H29N2+ MolecularWeight: 249.41486

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)[NH2+]CC1=CC=C(C=C1)N(C)C

Isomeric SMILES

CCCCC[C@H](C)[NH2+]CC1=CC=C(C=C1)N(C)C

InChI

InChI=1S/C16H28N2/c1-5-6-7-8-14(2)17-13-15-9-11-16(12-10-15)18(3)4/h9-12,14,17H,5-8,13H2,1-4H3/p+1/t14-/m0/s1