[2-chloranyl-5-(1,2,4-triazol-4-yl)phenyl]-(4-methylpiperazin-4-ium-1-yl)methanone

Systemtic Name: [2-chloranyl-5-(1,2,4-triazol-4-yl)phenyl]-(4-methylpiperazin-4-ium-1-yl)methanone Openeye Name: [2-chloro-5-(1,2,4-triazol-4-yl)phenyl]-(4-methylpiperazin-4-ium-1-yl)methanone CAS Name: [2-chloro-5-(1,2,4-triazol-4-yl)phenyl]-(4-methyl-1-piperazin-4-iumyl)methanone IUPAC Name: [2-chloro-5-(1,2,4-triazol-4-yl)phenyl]-(4-methylpiperazin-4-ium-1-yl)methanone Traditional Name: [2-chloro-5-(1,2,4-triazol-4-yl)phenyl]-(4-methylpiperazin-4-ium-1-yl)methanone Formula: C14H17ClN5O+ MolecularWeight: 306.77068

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(=O)C2=C(C=CC(=C2)N3C=NN=C3)Cl

Isomeric SMILES

C[NH+]1CCN(CC1)C(=O)C2=C(C=CC(=C2)N3C=NN=C3)Cl

InChI

InChI=1S/C14H16ClN5O/c1-18-4-6-19(7-5-18)14(21)12-8-11(2-3-13(12)15)20-9-16-17-10-20/h2-3,8-10H,4-7H2,1H3/p+1