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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=CC=C1C(C[NH3+])[NH+]2CCCCCC2

Isomeric SMILES

CC(C)OC1=CC=CC=C1[C@H](C[NH3+])[NH+]2CCCCCC2

InChI

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