ethyl 2-(4-methyl-1,4-diazepan-4-ium-1-yl)benzoate

Systemtic Name: ethyl 2-(4-methyl-1,4-diazepan-4-ium-1-yl)benzoate Openeye Name: ethyl 2-(4-methyl-1,4-diazepan-4-ium-1-yl)benzoate CAS Name: 2-(4-methyl-1,4-diazepan-4-ium-1-yl)benzoic acid ethyl ester IUPAC Name: ethyl 2-(4-methyl-1,4-diazepan-4-ium-1-yl)benzoate Traditional Name: 2-(4-methyl-1,4-diazepan-4-ium-1-yl)benzoic acid ethyl ester Formula: C15H23N2O2+ MolecularWeight: 263.35532

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=CC=C1N2CCC[NH+](CC2)C

Isomeric SMILES

CCOC(=O)C1=CC=CC=C1N2CCC[NH+](CC2)C

InChI

InChI=1S/C15H22N2O2/c1-3-19-15(18)13-7-4-5-8-14(13)17-10-6-9-16(2)11-12-17/h4-5,7-8H,3,6,9-12H2,1-2H3/p+1