1H-indazol-3-yl-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-4-ium-1-yl]methanone

Systemtic Name: 1H-indazol-3-yl-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-4-ium-1-yl]methanone Openeye Name: 1H-indazol-3-yl-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-4-ium-1-yl]methanone CAS Name: 1H-indazol-3-yl-[4-[(2,3,4-trimethoxyphenyl)methyl]-1-piperazin-4-iumyl]methanone IUPAC Name: 1H-indazol-3-yl-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-4-ium-1-yl]methanone Traditional Name: 1H-indazol-3-yl-[4-(2,3,4-trimethoxybenzyl)piperazin-4-ium-1-yl]methanone Formula: C22H27N4O4+ MolecularWeight: 411.47418

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C=C1)C[NH+]2CCN(CC2)C(=O)C3=NNC4=CC=CC=C43)OC)OC

Isomeric SMILES

COC1=C(C(=C(C=C1)C[NH+]2CCN(CC2)C(=O)C3=NNC4=CC=CC=C43)OC)OC

InChI

InChI=1S/C22H26N4O4/c1-28-18-9-8-15(20(29-2)21(18)30-3)14-25-10-12-26(13-11-25)22(27)19-16-6-4-5-7-17(16)23-24-19/h4-9H,10-14H2,1-3H3,(H,23,24)/p+1