[(2R)-2-(azepan-1-ium-1-yl)-2-(2-butoxyphenyl)ethyl]azanium

Systemtic Name: [(2R)-2-(azepan-1-ium-1-yl)-2-(2-butoxyphenyl)ethyl]azanium Openeye Name: [(2R)-2-(azepan-1-ium-1-yl)-2-(2-butoxyphenyl)ethyl]ammonium CAS Name: [(2R)-2-(1-azepan-1-iumyl)-2-(2-butoxyphenyl)ethyl]ammonium IUPAC Name: [(2R)-2-(azepan-1-ium-1-yl)-2-(2-butoxyphenyl)ethyl]azanium Traditional Name: [(2R)-2-(azepan-1-ium-1-yl)-2-(2-butoxyphenyl)ethyl]ammonium Formula: C18H32N2O+2 MolecularWeight: 292.45948

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=CC=C1C(C[NH3+])[NH+]2CCCCCC2

Isomeric SMILES

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

InChI

InChI=1S/C18H30N2O/c1-2-3-14-21-18-11-7-6-10-16(18)17(15-19)20-12-8-4-5-9-13-20/h6-7,10-11,17H,2-5,8-9,12-15,19H2,1H3/p+2/t17-/m0/s1