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

Systemtic Name: [(2R)-2-(dimethylamino)-3-ethyl-pentyl]-[(3-methoxy-4-oxidanyl-phenyl)methyl]azanium Openeye Name: [(2R)-2-(dimethylamino)-3-ethyl-pentyl]-[(4-hydroxy-3-methoxy-phenyl)methyl]ammonium CAS Name: [(2R)-2-(dimethylamino)-3-ethylpentyl]-[(4-hydroxy-3-methoxyphenyl)methyl]ammonium IUPAC Name: [(2R)-2-(dimethylamino)-3-ethylpentyl]-[(4-hydroxy-3-methoxyphenyl)methyl]azanium Traditional Name: [(2R)-2-(dimethylamino)-3-ethyl-pentyl]-vanillyl-ammonium Formula: C17H31N2O2+ MolecularWeight: 295.44024

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H30N2O2/c1-6-14(7-2)15(19(3)4)12-18-11-13-8-9-16(20)17(10-13)21-5/h8-10,14-15,18,20H,6-7,11-12H2,1-5H3/p+1/t15-/m0/s1