[(2S)-2-(dimethylamino)-4-methyl-pentyl]-[(3-methoxy-4-oxidanyl-phenyl)methyl]azanium

Systemtic Name: [(2S)-2-(dimethylamino)-4-methyl-pentyl]-[(3-methoxy-4-oxidanyl-phenyl)methyl]azanium Openeye Name: [(2S)-2-(dimethylamino)-4-methyl-pentyl]-[(4-hydroxy-3-methoxy-phenyl)methyl]ammonium CAS Name: [(2S)-2-(dimethylamino)-4-methylpentyl]-[(4-hydroxy-3-methoxyphenyl)methyl]ammonium IUPAC Name: [(2S)-2-(dimethylamino)-4-methylpentyl]-[(4-hydroxy-3-methoxyphenyl)methyl]azanium Traditional Name: [(2S)-2-(dimethylamino)-4-methyl-pentyl]-vanillyl-ammonium Formula: C16H29N2O2+ MolecularWeight: 281.41366

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H28N2O2/c1-12(2)8-14(18(3)4)11-17-10-13-6-7-15(19)16(9-13)20-5/h6-7,9,12,14,17,19H,8,10-11H2,1-5H3/p+1/t14-/m0/s1