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

Systemtic Name: [(2R)-2-(azepan-1-ium-1-yl)-2-(2-propoxyphenyl)ethyl]azanium Openeye Name: [(2R)-2-(azepan-1-ium-1-yl)-2-(2-propoxyphenyl)ethyl]ammonium CAS Name: [(2R)-2-(1-azepan-1-iumyl)-2-(2-propoxyphenyl)ethyl]ammonium IUPAC Name: [(2R)-2-(azepan-1-ium-1-yl)-2-(2-propoxyphenyl)ethyl]azanium Traditional Name: [(2R)-2-(azepan-1-ium-1-yl)-2-(2-propoxyphenyl)ethyl]ammonium Formula: C17H30N2O+2 MolecularWeight: 278.4329

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=CC=C1C(C[NH3+])[NH+]2CCCCCC2

Isomeric SMILES

CCCOC1=CC=CC=C1[C@H](C[NH3+])[NH+]2CCCCCC2

InChI

InChI=1S/C17H28N2O/c1-2-13-20-17-10-6-5-9-15(17)16(14-18)19-11-7-3-4-8-12-19/h5-6,9-10,16H,2-4,7-8,11-14,18H2,1H3/p+2/t16-/m0/s1