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

Systemtic Name: [(2R)-2-(azepan-1-ium-1-yl)-2-(2-methoxyphenyl)ethyl]azanium Openeye Name: [(2R)-2-(azepan-1-ium-1-yl)-2-(2-methoxyphenyl)ethyl]ammonium CAS Name: [(2R)-2-(1-azepan-1-iumyl)-2-(2-methoxyphenyl)ethyl]ammonium IUPAC Name: [(2R)-2-(azepan-1-ium-1-yl)-2-(2-methoxyphenyl)ethyl]azanium Traditional Name: [(2R)-2-(azepan-1-ium-1-yl)-2-(2-methoxyphenyl)ethyl]ammonium Formula: C15H26N2O+2 MolecularWeight: 250.37974

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C(C[NH3+])[NH+]2CCCCCC2

Isomeric SMILES

COC1=CC=CC=C1[C@H](C[NH3+])[NH+]2CCCCCC2

InChI

InChI=1S/C15H24N2O/c1-18-15-9-5-4-8-13(15)14(12-16)17-10-6-2-3-7-11-17/h4-5,8-9,14H,2-3,6-7,10-12,16H2,1H3/p+2/t14-/m0/s1