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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H28N2O2/c1-3-21-17-12-14(20-2)8-9-15(17)16(13-18)19-10-6-4-5-7-11-19/h8-9,12,16H,3-7,10-11,13,18H2,1-2H3/p+2/t16-/m0/s1