ethyl 2-[1-(3-methoxyphenyl)-3-oxidanylidene-1,2-diazepan-1-ium-1-yl]ethanoate

Systemtic Name: ethyl 2-[1-(3-methoxyphenyl)-3-oxidanylidene-1,2-diazepan-1-ium-1-yl]ethanoate Openeye Name: ethyl 2-[1-(3-methoxyphenyl)-3-oxo-diazepan-1-ium-1-yl]acetate CAS Name: 2-[1-(3-methoxyphenyl)-3-oxo-1-diazepan-1-iumyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[1-(3-methoxyphenyl)-3-oxodiazepan-1-ium-1-yl]acetate Traditional Name: 2-[3-keto-1-(3-methoxyphenyl)diazepan-1-ium-1-yl]acetic acid ethyl ester Formula: C16H23N2O4+ MolecularWeight: 307.36482

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C[N+]1(CCCCC(=O)N1)C2=CC(=CC=C2)OC

Isomeric SMILES

CCOC(=O)C[N+]1(CCCCC(=O)N1)C2=CC(=CC=C2)OC

InChI

InChI=1S/C16H22N2O4/c1-3-22-16(20)12-18(10-5-4-9-15(19)17-18)13-7-6-8-14(11-13)21-2/h6-8,11H,3-5,9-10,12H2,1-2H3/p+1