[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-[3-(2-methoxyphenyl)-1-phenyl-pyrazol-4-yl]methanone

Systemtic Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-[3-(2-methoxyphenyl)-1-phenyl-pyrazol-4-yl]methanone Openeye Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-[3-(2-methoxyphenyl)-1-phenyl-pyrazol-4-yl]methanone CAS Name: [4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-4-iumyl]-[3-(2-methoxyphenyl)-1-phenyl-4-pyrazolyl]methanone IUPAC Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-[3-(2-methoxyphenyl)-1-phenylpyrazol-4-yl]methanone Traditional Name: [3-(2-methoxyphenyl)-1-phenyl-pyrazol-4-yl]-(4-piperonylpiperazin-4-ium-1-yl)methanone Formula: C29H29N4O4+ MolecularWeight: 497.56496

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C2=NN(C=C2C(=O)N3CC[NH+](CC3)CC4=CC5=C(C=C4)OCO5)C6=CC=CC=C6

Isomeric SMILES

COC1=CC=CC=C1C2=NN(C=C2C(=O)N3CC[NH+](CC3)CC4=CC5=C(C=C4)OCO5)C6=CC=CC=C6

InChI

InChI=1S/C29H28N4O4/c1-35-25-10-6-5-9-23(25)28-24(19-33(30-28)22-7-3-2-4-8-22)29(34)32-15-13-31(14-16-32)18-21-11-12-26-27(17-21)37-20-36-26/h2-12,17,19H,13-16,18,20H2,1H3/p+1