[(2R)-2-(azepan-1-ium-1-yl)-2-(2-butoxy-4-methoxy-phenyl)ethyl]azanium

Systemtic Name: [(2R)-2-(azepan-1-ium-1-yl)-2-(2-butoxy-4-methoxy-phenyl)ethyl]azanium Openeye Name: [(2R)-2-(azepan-1-ium-1-yl)-2-(2-butoxy-4-methoxy-phenyl)ethyl]ammonium CAS Name: [(2R)-2-(1-azepan-1-iumyl)-2-(2-butoxy-4-methoxyphenyl)ethyl]ammonium IUPAC Name: [(2R)-2-(azepan-1-ium-1-yl)-2-(2-butoxy-4-methoxyphenyl)ethyl]azanium Traditional Name: [(2R)-2-(azepan-1-ium-1-yl)-2-(2-butoxy-4-methoxy-phenyl)ethyl]ammonium Formula: C19H34N2O2+2 MolecularWeight: 322.48546

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=CC(=C1)OC)C(C[NH3+])[NH+]2CCCCCC2

Isomeric SMILES

CCCCOC1=C(C=CC(=C1)OC)[C@H](C[NH3+])[NH+]2CCCCCC2

InChI

InChI=1S/C19H32N2O2/c1-3-4-13-23-19-14-16(22-2)9-10-17(19)18(15-20)21-11-7-5-6-8-12-21/h9-10,14,18H,3-8,11-13,15,20H2,1-2H3/p+2/t18-/m0/s1