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

Systemtic Name: ethyl 4-(4-methyl-1,4-diazepan-4-ium-1-yl)benzoate Openeye Name: ethyl 4-(4-methyl-1,4-diazepan-4-ium-1-yl)benzoate CAS Name: 4-(4-methyl-1,4-diazepan-4-ium-1-yl)benzoic acid ethyl ester IUPAC Name: ethyl 4-(4-methyl-1,4-diazepan-4-ium-1-yl)benzoate Traditional Name: 4-(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=C(C=C1)N2CCC[NH+](CC2)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)N2CCC[NH+](CC2)C

InChI

InChI=1S/C15H22N2O2/c1-3-19-15(18)13-5-7-14(8-6-13)17-10-4-9-16(2)11-12-17/h5-8H,3-4,9-12H2,1-2H3/p+1