2-(2-chlorophenyl)-1-(1,4-diazepan-4-ium-1-yl)ethanone

Systemtic Name: 2-(2-chlorophenyl)-1-(1,4-diazepan-4-ium-1-yl)ethanone Openeye Name: 2-(2-chlorophenyl)-1-(1,4-diazepan-4-ium-1-yl)ethanone CAS Name: 2-(2-chlorophenyl)-1-(1,4-diazepan-4-ium-1-yl)ethanone IUPAC Name: 2-(2-chlorophenyl)-1-(1,4-diazepan-4-ium-1-yl)ethanone Traditional Name: 2-(2-chlorophenyl)-1-(1,4-diazepan-4-ium-1-yl)ethanone Formula: C13H18ClN2O+ MolecularWeight: 253.74782

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH2+]CCN(C1)C(=O)CC2=CC=CC=C2Cl

Isomeric SMILES

C1C[NH2+]CCN(C1)C(=O)CC2=CC=CC=C2Cl

InChI

InChI=1S/C13H17ClN2O/c14-12-5-2-1-4-11(12)10-13(17)16-8-3-6-15-7-9-16/h1-2,4-5,15H,3,6-10H2/p+1