[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-(4-propan-2-yloxyphenyl)azanium

Systemtic Name: [2-(azepan-1-yl)-2-oxidanylidene-ethyl]-(4-propan-2-yloxyphenyl)azanium Openeye Name: [2-(azepan-1-yl)-2-oxo-ethyl]-(4-isopropoxyphenyl)ammonium CAS Name: [2-(1-azepanyl)-2-oxoethyl]-(4-propan-2-yloxyphenyl)ammonium IUPAC Name: [2-(azepan-1-yl)-2-oxoethyl]-(4-propan-2-yloxyphenyl)azanium Traditional Name: [2-(azepan-1-yl)-2-keto-ethyl]-(4-isopropoxyphenyl)ammonium Formula: C17H27N2O2+ MolecularWeight: 291.40848

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=C(C=C1)[NH2+]CC(=O)N2CCCCCC2

Isomeric SMILES

CC(C)OC1=CC=C(C=C1)[NH2+]CC(=O)N2CCCCCC2

InChI

InChI=1S/C17H26N2O2/c1-14(2)21-16-9-7-15(8-10-16)18-13-17(20)19-11-5-3-4-6-12-19/h7-10,14,18H,3-6,11-13H2,1-2H3/p+1