[4-[bis(azanyl)methylidene]piperazin-4-ium-1-yl]-(4-chlorophenyl)methanone

Systemtic Name: [4-[bis(azanyl)methylidene]piperazin-4-ium-1-yl]-(4-chlorophenyl)methanone Openeye Name: (4-chlorophenyl)-[4-(diaminomethylene)piperazin-4-ium-1-yl]methanone CAS Name: (4-chlorophenyl)-[4-(diaminomethylidene)-1-piperazin-4-iumyl]methanone IUPAC Name: (4-chlorophenyl)-[4-(diaminomethylidene)piperazin-4-ium-1-yl]methanone Traditional Name: (4-chlorophenyl)-[4-(diaminomethylene)piperazin-4-ium-1-yl]methanone Formula: C12H16ClN4O+ MolecularWeight: 267.73464

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Descriptors Computed from Structure

Canonical SMILES:

C1C[N+](=C(N)N)CCN1C(=O)C2=CC=C(C=C2)Cl

Isomeric SMILES

C1C[N+](=C(N)N)CCN1C(=O)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C12H15ClN4O/c13-10-3-1-9(2-4-10)11(18)16-5-7-17(8-6-16)12(14)15/h1-4H,5-8H2,(H3,14,15)/p+1