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

Systemtic Name: [(2S)-2-(4-butoxy-3-methoxy-phenyl)-2-oxidanyl-propyl]-(2-methylpropyl)azanium Openeye Name: [(2S)-2-(4-butoxy-3-methoxy-phenyl)-2-hydroxy-propyl]-isobutyl-ammonium CAS Name: [(2S)-2-(4-butoxy-3-methoxyphenyl)-2-hydroxypropyl]-(2-methylpropyl)ammonium IUPAC Name: [(2S)-2-(4-butoxy-3-methoxyphenyl)-2-hydroxypropyl]-(2-methylpropyl)azanium Traditional Name: [(2S)-2-(4-butoxy-3-methoxy-phenyl)-2-hydroxy-propyl]-isobutyl-ammonium Formula: C18H32NO3+ MolecularWeight: 310.45158

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H31NO3/c1-6-7-10-22-16-9-8-15(11-17(16)21-5)18(4,20)13-19-12-14(2)3/h8-9,11,14,19-20H,6-7,10,12-13H2,1-5H3/p+1/t18-/m1/s1