(3,5-dimethoxy-4-oxidanyl-phenyl)methyl-[(2S)-2-(dimethylamino)-3-methyl-butyl]azanium

Systemtic Name: (3,5-dimethoxy-4-oxidanyl-phenyl)methyl-[(2S)-2-(dimethylamino)-3-methyl-butyl]azanium Openeye Name: [(2S)-2-(dimethylamino)-3-methyl-butyl]-[(4-hydroxy-3,5-dimethoxy-phenyl)methyl]ammonium CAS Name: [(2S)-2-(dimethylamino)-3-methylbutyl]-[(4-hydroxy-3,5-dimethoxyphenyl)methyl]ammonium IUPAC Name: [(2S)-2-(dimethylamino)-3-methylbutyl]-[(4-hydroxy-3,5-dimethoxyphenyl)methyl]azanium Traditional Name: [(2S)-2-(dimethylamino)-3-methyl-butyl]-(4-hydroxy-3,5-dimethoxy-benzyl)ammonium Formula: C16H29N2O3+ MolecularWeight: 297.41306

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H28N2O3/c1-11(2)13(18(3)4)10-17-9-12-7-14(20-5)16(19)15(8-12)21-6/h7-8,11,13,17,19H,9-10H2,1-6H3/p+1/t13-/m1/s1