(4-dimethylaminophenyl)methyl-[(2S)-5-methylhexan-2-yl]azanium

Systemtic Name: (4-dimethylaminophenyl)methyl-[(2S)-5-methylhexan-2-yl]azanium Openeye Name: (4-dimethylaminophenyl)methyl-[(1S)-1,4-dimethylpentyl]ammonium CAS Name: (4-dimethylaminophenyl)methyl-[(2S)-5-methylhexan-2-yl]ammonium IUPAC Name: (4-dimethylaminophenyl)methyl-[(2S)-5-methylhexan-2-yl]azanium Traditional Name: [4-(dimethylamino)benzyl]-[(1S)-1,4-dimethylpentyl]ammonium Formula: C16H29N2+ MolecularWeight: 249.41486

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H28N2/c1-13(2)6-7-14(3)17-12-15-8-10-16(11-9-15)18(4)5/h8-11,13-14,17H,6-7,12H2,1-5H3/p+1/t14-/m0/s1