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

Systemtic Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-[2-methyl-5-(1-methylpyrrol-2-yl)pyrazol-3-yl]methanone Openeye Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-[2-methyl-5-(1-methylpyrrol-2-yl)pyrazol-3-yl]methanone CAS Name: [4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-4-iumyl]-[2-methyl-5-(1-methyl-2-pyrrolyl)-3-pyrazolyl]methanone IUPAC Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-[2-methyl-5-(1-methylpyrrol-2-yl)pyrazol-3-yl]methanone Traditional Name: [2-methyl-5-(1-methylpyrrol-2-yl)pyrazol-3-yl]-(4-piperonylpiperazin-4-ium-1-yl)methanone Formula: C22H26N5O3+ MolecularWeight: 408.47354

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC=C1C2=NN(C(=C2)C(=O)N3CC[NH+](CC3)CC4=CC5=C(C=C4)OCO5)C

Isomeric SMILES

CN1C=CC=C1C2=NN(C(=C2)C(=O)N3CC[NH+](CC3)CC4=CC5=C(C=C4)OCO5)C

InChI

InChI=1S/C22H25N5O3/c1-24-7-3-4-18(24)17-13-19(25(2)23-17)22(28)27-10-8-26(9-11-27)14-16-5-6-20-21(12-16)30-15-29-20/h3-7,12-13H,8-11,14-15H2,1-2H3/p+1