[(2R)-2-(azepan-1-ium-1-yl)-2-(4-butoxyphenyl)ethyl]azanium

Systemtic Name: [(2R)-2-(azepan-1-ium-1-yl)-2-(4-butoxyphenyl)ethyl]azanium Openeye Name: [(2R)-2-(azepan-1-ium-1-yl)-2-(4-butoxyphenyl)ethyl]ammonium CAS Name: [(2R)-2-(1-azepan-1-iumyl)-2-(4-butoxyphenyl)ethyl]ammonium IUPAC Name: [(2R)-2-(azepan-1-ium-1-yl)-2-(4-butoxyphenyl)ethyl]azanium Traditional Name: [(2R)-2-(azepan-1-ium-1-yl)-2-(4-butoxyphenyl)ethyl]ammonium Formula: C18H32N2O+2 MolecularWeight: 292.45948

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H30N2O/c1-2-3-14-21-17-10-8-16(9-11-17)18(15-19)20-12-6-4-5-7-13-20/h8-11,18H,2-7,12-15,19H2,1H3/p+2/t18-/m0/s1