[(2R)-2-(azepan-1-ium-1-yl)-2-(4-ethoxy-3-methoxy-phenyl)ethyl]azanium

Systemtic Name: [(2R)-2-(azepan-1-ium-1-yl)-2-(4-ethoxy-3-methoxy-phenyl)ethyl]azanium Openeye Name: [(2R)-2-(azepan-1-ium-1-yl)-2-(4-ethoxy-3-methoxy-phenyl)ethyl]ammonium CAS Name: [(2R)-2-(1-azepan-1-iumyl)-2-(4-ethoxy-3-methoxyphenyl)ethyl]ammonium IUPAC Name: [(2R)-2-(azepan-1-ium-1-yl)-2-(4-ethoxy-3-methoxyphenyl)ethyl]azanium Traditional Name: [(2R)-2-(azepan-1-ium-1-yl)-2-(4-ethoxy-3-methoxy-phenyl)ethyl]ammonium Formula: C17H30N2O2+2 MolecularWeight: 294.4323

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(C[NH3+])[NH+]2CCCCCC2)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1)[C@H](C[NH3+])[NH+]2CCCCCC2)OC

InChI

InChI=1S/C17H28N2O2/c1-3-21-16-9-8-14(12-17(16)20-2)15(13-18)19-10-6-4-5-7-11-19/h8-9,12,15H,3-7,10-11,13,18H2,1-2H3/p+2/t15-/m0/s1