[(4S)-4-cyano-4-(3,4-dimethoxyphenyl)-5-methyl-hexyl]-methyl-azanium

Systemtic Name: [(4S)-4-cyano-4-(3,4-dimethoxyphenyl)-5-methyl-hexyl]-methyl-azanium Openeye Name: [(4S)-4-cyano-4-(3,4-dimethoxyphenyl)-5-methyl-hexyl]-methyl-ammonium CAS Name: [(4S)-4-cyano-4-(3,4-dimethoxyphenyl)-5-methylhexyl]-methylammonium IUPAC Name: [(4S)-4-cyano-4-(3,4-dimethoxyphenyl)-5-methylhexyl]-methylazanium Traditional Name: [(4S)-4-cyano-4-(3,4-dimethoxyphenyl)-5-methyl-hexyl]-methyl-ammonium Formula: C17H27N2O2+ MolecularWeight: 291.40848

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(C)[C@](CCC[NH2+]C)(C#N)C1=CC(=C(C=C1)OC)OC

InChI

InChI=1S/C17H26N2O2/c1-13(2)17(12-18,9-6-10-19-3)14-7-8-15(20-4)16(11-14)21-5/h7-8,11,13,19H,6,9-10H2,1-5H3/p+1/t17-/m0/s1