[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-(3-propan-2-ylphenyl)azanium

Systemtic Name: [2-(azepan-1-yl)-2-oxidanylidene-ethyl]-(3-propan-2-ylphenyl)azanium Openeye Name: [2-(azepan-1-yl)-2-oxo-ethyl]-(3-isopropylphenyl)ammonium CAS Name: [2-(1-azepanyl)-2-oxoethyl]-(3-propan-2-ylphenyl)ammonium IUPAC Name: [2-(azepan-1-yl)-2-oxoethyl]-(3-propan-2-ylphenyl)azanium Traditional Name: [2-(azepan-1-yl)-2-keto-ethyl]-m-cumenyl-ammonium Formula: C17H27N2O+ MolecularWeight: 275.40908

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H26N2O/c1-14(2)15-8-7-9-16(12-15)18-13-17(20)19-10-5-3-4-6-11-19/h7-9,12,14,18H,3-6,10-11,13H2,1-2H3/p+1