N-(3,4-dichlorophenyl)-1,4-diazepan-4-ium-1-carboxamide

Systemtic Name: N-(3,4-dichlorophenyl)-1,4-diazepan-4-ium-1-carboxamide Openeye Name: N-(3,4-dichlorophenyl)-1,4-diazepan-4-ium-1-carboxamide CAS Name: N-(3,4-dichlorophenyl)-1,4-diazepan-4-ium-1-carboxamide IUPAC Name: N-(3,4-dichlorophenyl)-1,4-diazepan-4-ium-1-carboxamide Traditional Name: N-(3,4-dichlorophenyl)-1,4-diazepan-4-ium-1-carboxamide Formula: C12H16Cl2N3O+ MolecularWeight: 289.18094

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH2+]CCN(C1)C(=O)NC2=CC(=C(C=C2)Cl)Cl

Isomeric SMILES

C1C[NH2+]CCN(C1)C(=O)NC2=CC(=C(C=C2)Cl)Cl

InChI

InChI=1S/C12H15Cl2N3O/c13-10-3-2-9(8-11(10)14)16-12(18)17-6-1-4-15-5-7-17/h2-3,8,15H,1,4-7H2,(H,16,18)/p+1