1-[[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-ium-1-yl]methyl]-6-nitro-indazole

Systemtic Name: 1-[[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-ium-1-yl]methyl]-6-nitro-indazole Openeye Name: 1-[[4-(5-chloro-2-methyl-phenyl)piperazin-1-ium-1-yl]methyl]-6-nitro-indazole CAS Name: 1-[[4-(5-chloro-2-methylphenyl)-1-piperazin-1-iumyl]methyl]-6-nitroindazole IUPAC Name: 1-[[4-(5-chloro-2-methylphenyl)piperazin-1-ium-1-yl]methyl]-6-nitroindazole Traditional Name: 1-[[4-(5-chloro-2-methyl-phenyl)piperazin-1-ium-1-yl]methyl]-6-nitro-indazole Formula: C19H21ClN5O2+ MolecularWeight: 386.85534

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Cl)N2CC[NH+](CC2)CN3C4=C(C=CC(=C4)[N+](=O)[O-])C=N3

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)N2CC[NH+](CC2)CN3C4=C(C=CC(=C4)[N+](=O)[O-])C=N3

InChI

InChI=1S/C19H20ClN5O2/c1-14-2-4-16(20)10-18(14)23-8-6-22(7-9-23)13-24-19-11-17(25(26)27)5-3-15(19)12-21-24/h2-5,10-12H,6-9,13H2,1H3/p+1