[4-[2-(azepan-1-yl)-2-oxidanylidene-ethoxy]-3,5-dimethyl-phenyl]methylazanium

Systemtic Name: [4-[2-(azepan-1-yl)-2-oxidanylidene-ethoxy]-3,5-dimethyl-phenyl]methylazanium Openeye Name: [4-[2-(azepan-1-yl)-2-oxo-ethoxy]-3,5-dimethyl-phenyl]methylammonium CAS Name: [4-[2-(1-azepanyl)-2-oxoethoxy]-3,5-dimethylphenyl]methylammonium IUPAC Name: [4-[2-(azepan-1-yl)-2-oxoethoxy]-3,5-dimethylphenyl]methylazanium Traditional Name: [4-[2-(azepan-1-yl)-2-keto-ethoxy]-3,5-dimethyl-benzyl]ammonium Formula: C17H27N2O2+ MolecularWeight: 291.40848

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OCC(=O)N2CCCCCC2)C)C[NH3+]

Isomeric SMILES

CC1=CC(=CC(=C1OCC(=O)N2CCCCCC2)C)C[NH3+]

InChI

InChI=1S/C17H26N2O2/c1-13-9-15(11-18)10-14(2)17(13)21-12-16(20)19-7-5-3-4-6-8-19/h9-10H,3-8,11-12,18H2,1-2H3/p+1