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

Systemtic Name: (3,4-dimethoxyphenyl)methyl-[(3S,5S)-5-methylheptan-3-yl]azanium Openeye Name: (3,4-dimethoxyphenyl)methyl-[(1S,3S)-1-ethyl-3-methyl-pentyl]ammonium CAS Name: (3,4-dimethoxyphenyl)methyl-[(3S,5S)-5-methylheptan-3-yl]ammonium IUPAC Name: (3,4-dimethoxyphenyl)methyl-[(3S,5S)-5-methylheptan-3-yl]azanium Traditional Name: [(1S,3S)-1-ethyl-3-methyl-pentyl]-veratryl-ammonium Formula: C17H30NO2+ MolecularWeight: 280.4256

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H29NO2/c1-6-13(3)10-15(7-2)18-12-14-8-9-16(19-4)17(11-14)20-5/h8-9,11,13,15,18H,6-7,10,12H2,1-5H3/p+1/t13-,15-/m0/s1