[(2R)-2-(azepan-1-ium-1-yl)-2-(3,4-diethoxyphenyl)ethyl]azanium

Systemtic Name: [(2R)-2-(azepan-1-ium-1-yl)-2-(3,4-diethoxyphenyl)ethyl]azanium Openeye Name: [(2R)-2-(azepan-1-ium-1-yl)-2-(3,4-diethoxyphenyl)ethyl]ammonium CAS Name: [(2R)-2-(1-azepan-1-iumyl)-2-(3,4-diethoxyphenyl)ethyl]ammonium IUPAC Name: [(2R)-2-(azepan-1-ium-1-yl)-2-(3,4-diethoxyphenyl)ethyl]azanium Traditional Name: [(2R)-2-(azepan-1-ium-1-yl)-2-(3,4-diethoxyphenyl)ethyl]ammonium Formula: C18H32N2O2+2 MolecularWeight: 308.45888

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H30N2O2/c1-3-21-17-10-9-15(13-18(17)22-4-2)16(14-19)20-11-7-5-6-8-12-20/h9-10,13,16H,3-8,11-12,14,19H2,1-2H3/p+2/t16-/m0/s1