1-[[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-ium-1-yl]methyl]-4-phenyl-1,2,3,4-tetrazol-5-one

Systemtic Name: 1-[[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-ium-1-yl]methyl]-4-phenyl-1,2,3,4-tetrazol-5-one Openeye Name: 1-[[4-(5-chloro-2-methyl-phenyl)piperazin-1-ium-1-yl]methyl]-4-phenyl-tetrazol-5-one CAS Name: 1-[[4-(5-chloro-2-methylphenyl)-1-piperazin-1-iumyl]methyl]-4-phenyl-5-tetrazolone IUPAC Name: 1-[[4-(5-chloro-2-methylphenyl)piperazin-1-ium-1-yl]methyl]-4-phenyltetrazol-5-one Traditional Name: 1-[[4-(5-chloro-2-methyl-phenyl)piperazin-1-ium-1-yl]methyl]-4-phenyl-tetrazol-5-one Formula: C19H22ClN6O+ MolecularWeight: 385.87058

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Cl)N2CC[NH+](CC2)CN3C(=O)N(N=N3)C4=CC=CC=C4

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)N2CC[NH+](CC2)CN3C(=O)N(N=N3)C4=CC=CC=C4

InChI

InChI=1S/C19H21ClN6O/c1-15-7-8-16(20)13-18(15)24-11-9-23(10-12-24)14-25-19(27)26(22-21-25)17-5-3-2-4-6-17/h2-8,13H,9-12,14H2,1H3/p+1