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

Systemtic Name: [(2S)-2-(4-butoxy-3-methoxy-phenyl)-2-oxidanyl-ethyl]-cyclopropyl-azanium Openeye Name: [(2S)-2-(4-butoxy-3-methoxy-phenyl)-2-hydroxy-ethyl]-cyclopropyl-ammonium CAS Name: [(2S)-2-(4-butoxy-3-methoxyphenyl)-2-hydroxyethyl]-cyclopropylammonium IUPAC Name: [(2S)-2-(4-butoxy-3-methoxyphenyl)-2-hydroxyethyl]-cyclopropylazanium Traditional Name: [(2S)-2-(4-butoxy-3-methoxy-phenyl)-2-hydroxy-ethyl]-cyclopropyl-ammonium Formula: C16H26NO3+ MolecularWeight: 280.38254

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)C(C[NH2+]C2CC2)O)OC

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)[C@@H](C[NH2+]C2CC2)O)OC

InChI

InChI=1S/C16H25NO3/c1-3-4-9-20-15-8-5-12(10-16(15)19-2)14(18)11-17-13-6-7-13/h5,8,10,13-14,17-18H,3-4,6-7,9,11H2,1-2H3/p+1/t14-/m1/s1