[(2S)-2-(3-butoxy-4-methoxy-phenyl)-2-oxidanyl-ethyl]-(2-methylpropyl)azanium

Systemtic Name: [(2S)-2-(3-butoxy-4-methoxy-phenyl)-2-oxidanyl-ethyl]-(2-methylpropyl)azanium Openeye Name: [(2S)-2-(3-butoxy-4-methoxy-phenyl)-2-hydroxy-ethyl]-isobutyl-ammonium CAS Name: [(2S)-2-(3-butoxy-4-methoxyphenyl)-2-hydroxyethyl]-(2-methylpropyl)ammonium IUPAC Name: [(2S)-2-(3-butoxy-4-methoxyphenyl)-2-hydroxyethyl]-(2-methylpropyl)azanium Traditional Name: [(2S)-2-(3-butoxy-4-methoxy-phenyl)-2-hydroxy-ethyl]-isobutyl-ammonium Formula: C17H30NO3+ MolecularWeight: 296.425

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=CC(=C1)C(C[NH2+]CC(C)C)O)OC

Isomeric SMILES

CCCCOC1=C(C=CC(=C1)[C@@H](C[NH2+]CC(C)C)O)OC

InChI

InChI=1S/C17H29NO3/c1-5-6-9-21-17-10-14(7-8-16(17)20-4)15(19)12-18-11-13(2)3/h7-8,10,13,15,18-19H,5-6,9,11-12H2,1-4H3/p+1/t15-/m1/s1