2-(3,4-dimethoxyphenyl)ethyl-[(3S,5S)-5-methylheptan-3-yl]azanium

Systemtic Name: 2-(3,4-dimethoxyphenyl)ethyl-[(3S,5S)-5-methylheptan-3-yl]azanium Openeye Name: 2-(3,4-dimethoxyphenyl)ethyl-[(1S,3S)-1-ethyl-3-methyl-pentyl]ammonium CAS Name: 2-(3,4-dimethoxyphenyl)ethyl-[(3S,5S)-5-methylheptan-3-yl]ammonium IUPAC Name: 2-(3,4-dimethoxyphenyl)ethyl-[(3S,5S)-5-methylheptan-3-yl]azanium Traditional Name: [(1S,3S)-1-ethyl-3-methyl-pentyl]-homoveratryl-ammonium Formula: C18H32NO2+ MolecularWeight: 294.45218

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)CC(CC)[NH2+]CCC1=CC(=C(C=C1)OC)OC

Isomeric SMILES

CC[C@H](C)C[C@H](CC)[NH2+]CCC1=CC(=C(C=C1)OC)OC

InChI

InChI=1S/C18H31NO2/c1-6-14(3)12-16(7-2)19-11-10-15-8-9-17(20-4)18(13-15)21-5/h8-9,13-14,16,19H,6-7,10-12H2,1-5H3/p+1/t14-,16-/m0/s1