1-[[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-6-nitro-indazole

Systemtic Name: 1-[[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-6-nitro-indazole Openeye Name: 1-[[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-6-nitro-indazole CAS Name: 1-[[4-(4-methoxyphenyl)-1-piperazin-1-iumyl]methyl]-6-nitroindazole IUPAC Name: 1-[[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-6-nitroindazole Traditional Name: 1-[[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-6-nitro-indazole Formula: C19H22N5O3+ MolecularWeight: 368.40968

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2CC[NH+](CC2)CN3C4=C(C=CC(=C4)[N+](=O)[O-])C=N3

Isomeric SMILES

COC1=CC=C(C=C1)N2CC[NH+](CC2)CN3C4=C(C=CC(=C4)[N+](=O)[O-])C=N3

InChI

InChI=1S/C19H21N5O3/c1-27-18-6-4-16(5-7-18)22-10-8-21(9-11-22)14-23-19-12-17(24(25)26)3-2-15(19)13-20-23/h2-7,12-13H,8-11,14H2,1H3/p+1