(4-dimethylaminophenyl)methyl-[(3S,5S)-5-methylheptan-3-yl]azanium

Systemtic Name: (4-dimethylaminophenyl)methyl-[(3S,5S)-5-methylheptan-3-yl]azanium Openeye Name: (4-dimethylaminophenyl)methyl-[(1S,3S)-1-ethyl-3-methyl-pentyl]ammonium CAS Name: (4-dimethylaminophenyl)methyl-[(3S,5S)-5-methylheptan-3-yl]ammonium IUPAC Name: (4-dimethylaminophenyl)methyl-[(3S,5S)-5-methylheptan-3-yl]azanium Traditional Name: [4-(dimethylamino)benzyl]-[(1S,3S)-1-ethyl-3-methyl-pentyl]ammonium Formula: C17H31N2+ MolecularWeight: 263.44144

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H30N2/c1-6-14(3)12-16(7-2)18-13-15-8-10-17(11-9-15)19(4)5/h8-11,14,16,18H,6-7,12-13H2,1-5H3/p+1/t14-,16-/m0/s1