(3-chlorophenyl)-(1,4-diazepan-4-ium-1-yl)methanone

Systemtic Name: (3-chlorophenyl)-(1,4-diazepan-4-ium-1-yl)methanone Openeye Name: (3-chlorophenyl)-(1,4-diazepan-4-ium-1-yl)methanone CAS Name: (3-chlorophenyl)-(1,4-diazepan-4-ium-1-yl)methanone IUPAC Name: (3-chlorophenyl)-(1,4-diazepan-4-ium-1-yl)methanone Traditional Name: (3-chlorophenyl)-(1,4-diazepan-4-ium-1-yl)methanone Formula: C12H16ClN2O+ MolecularWeight: 239.72124

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH2+]CCN(C1)C(=O)C2=CC(=CC=C2)Cl

Isomeric SMILES

C1C[NH2+]CCN(C1)C(=O)C2=CC(=CC=C2)Cl

InChI

InChI=1S/C12H15ClN2O/c13-11-4-1-3-10(9-11)12(16)15-7-2-5-14-6-8-15/h1,3-4,9,14H,2,5-8H2/p+1