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

Systemtic Name: [(2S)-2-(dimethylamino)-4-methyl-pentyl]-[(3-ethoxy-4-oxidanyl-phenyl)methyl]azanium Openeye Name: [(2S)-2-(dimethylamino)-4-methyl-pentyl]-[(3-ethoxy-4-hydroxy-phenyl)methyl]ammonium CAS Name: [(2S)-2-(dimethylamino)-4-methylpentyl]-[(3-ethoxy-4-hydroxyphenyl)methyl]ammonium IUPAC Name: [(2S)-2-(dimethylamino)-4-methylpentyl]-[(3-ethoxy-4-hydroxyphenyl)methyl]azanium Traditional Name: [(2S)-2-(dimethylamino)-4-methyl-pentyl]-(3-ethoxy-4-hydroxy-benzyl)ammonium Formula: C17H31N2O2+ MolecularWeight: 295.44024

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C[NH2+]CC(CC(C)C)N(C)C)O

Isomeric SMILES

CCOC1=C(C=CC(=C1)C[NH2+]C[C@H](CC(C)C)N(C)C)O

InChI

InChI=1S/C17H30N2O2/c1-6-21-17-10-14(7-8-16(17)20)11-18-12-15(19(4)5)9-13(2)3/h7-8,10,13,15,18,20H,6,9,11-12H2,1-5H3/p+1/t15-/m0/s1