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

Systemtic Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-(5-cyclopropyl-2-phenyl-pyrazol-3-yl)methanone Openeye Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-(5-cyclopropyl-2-phenyl-pyrazol-3-yl)methanone CAS Name: [4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-4-iumyl]-(5-cyclopropyl-2-phenyl-3-pyrazolyl)methanone IUPAC Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-(5-cyclopropyl-2-phenylpyrazol-3-yl)methanone Traditional Name: (5-cyclopropyl-2-phenyl-pyrazol-3-yl)-(4-piperonylpiperazin-4-ium-1-yl)methanone Formula: C25H27N4O3+ MolecularWeight: 431.50688

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NN(C(=C2)C(=O)N3CC[NH+](CC3)CC4=CC5=C(C=C4)OCO5)C6=CC=CC=C6

Isomeric SMILES

C1CC1C2=NN(C(=C2)C(=O)N3CC[NH+](CC3)CC4=CC5=C(C=C4)OCO5)C6=CC=CC=C6

InChI

InChI=1S/C25H26N4O3/c30-25(22-15-21(19-7-8-19)26-29(22)20-4-2-1-3-5-20)28-12-10-27(11-13-28)16-18-6-9-23-24(14-18)32-17-31-23/h1-6,9,14-15,19H,7-8,10-13,16-17H2/p+1