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

Systemtic Name: ethyl 4-(1,4-diazepan-4-ium-1-yl)benzoate Openeye Name: ethyl 4-(1,4-diazepan-4-ium-1-yl)benzoate CAS Name: 4-(1,4-diazepan-4-ium-1-yl)benzoic acid ethyl ester IUPAC Name: ethyl 4-(1,4-diazepan-4-ium-1-yl)benzoate Traditional Name: 4-(1,4-diazepan-4-ium-1-yl)benzoic acid ethyl ester Formula: C14H21N2O2+ MolecularWeight: 249.32874

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)N2CCC[NH2+]CC2

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)N2CCC[NH2+]CC2

InChI

InChI=1S/C14H20N2O2/c1-2-18-14(17)12-4-6-13(7-5-12)16-10-3-8-15-9-11-16/h4-7,15H,2-3,8-11H2,1H3/p+1