N-[azanyl-[4-(4-chlorophenyl)carbonylpiperazin-1-ium-1-ylidene]methyl]nitramide

Systemtic Name: N-[azanyl-[4-(4-chlorophenyl)carbonylpiperazin-1-ium-1-ylidene]methyl]nitramide Openeye Name: N-[amino-[4-(4-chlorobenzoyl)piperazin-1-ium-1-ylidene]methyl]nitramide CAS Name: N-[amino-[4-[(4-chlorophenyl)-oxomethyl]-1-piperazin-1-iumylidene]methyl]nitramide IUPAC Name: N-[amino-[4-(4-chlorobenzoyl)piperazin-1-ium-1-ylidene]methyl]nitramide Traditional Name: N-[amino-[4-(4-chlorobenzoyl)piperazin-1-ium-1-ylidene]methyl]nitramide Formula: C12H15ClN5O3+ MolecularWeight: 312.7322

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H14ClN5O3/c13-10-3-1-9(2-4-10)11(19)16-5-7-17(8-6-16)12(14)15-18(20)21/h1-4H,5-8H2,(H2,14,15)/p+1