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

Systemtic Name: (4-dimethylaminophenyl)methyl-[(2S)-octan-2-yl]azanium Openeye Name: (4-dimethylaminophenyl)methyl-[(1S)-1-methylheptyl]ammonium CAS Name: (4-dimethylaminophenyl)methyl-[(2S)-octan-2-yl]ammonium IUPAC Name: (4-dimethylaminophenyl)methyl-[(2S)-octan-2-yl]azanium Traditional Name: [4-(dimethylamino)benzyl]-[(1S)-1-methylheptyl]ammonium Formula: C17H31N2+ MolecularWeight: 263.44144

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H30N2/c1-5-6-7-8-9-15(2)18-14-16-10-12-17(13-11-16)19(3)4/h10-13,15,18H,5-9,14H2,1-4H3/p+1/t15-/m0/s1