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

Systemtic Name: [(2S)-2-(4-butoxy-3-methoxy-phenyl)-2-oxidanyl-propyl]-tert-butyl-azanium Openeye Name: [(2S)-2-(4-butoxy-3-methoxy-phenyl)-2-hydroxy-propyl]-tert-butyl-ammonium CAS Name: [(2S)-2-(4-butoxy-3-methoxyphenyl)-2-hydroxypropyl]-tert-butylammonium IUPAC Name: [(2S)-2-(4-butoxy-3-methoxyphenyl)-2-hydroxypropyl]-tert-butylazanium Traditional Name: [(2S)-2-(4-butoxy-3-methoxy-phenyl)-2-hydroxy-propyl]-tert-butyl-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+]C(C)(C)C)O)OC

Isomeric SMILES

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

InChI

InChI=1S/C18H31NO3/c1-7-8-11-22-15-10-9-14(12-16(15)21-6)18(5,20)13-19-17(2,3)4/h9-10,12,19-20H,7-8,11,13H2,1-6H3/p+1/t18-/m1/s1