[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-[1-(6-methylpyridin-2-yl)imidazol-4-yl]methanone

Systemtic Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-[1-(6-methylpyridin-2-yl)imidazol-4-yl]methanone Openeye Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-[1-(6-methyl-2-pyridyl)imidazol-4-yl]methanone CAS Name: [4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-4-iumyl]-[1-(6-methyl-2-pyridinyl)-4-imidazolyl]methanone IUPAC Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-[1-(6-methylpyridin-2-yl)imidazol-4-yl]methanone Traditional Name: [1-(6-methyl-2-pyridyl)imidazol-4-yl]-(4-piperonylpiperazin-4-ium-1-yl)methanone Formula: C22H24N5O3+ MolecularWeight: 406.45766

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CC=C1)N2C=C(N=C2)C(=O)N3CC[NH+](CC3)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC1=NC(=CC=C1)N2C=C(N=C2)C(=O)N3CC[NH+](CC3)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C22H23N5O3/c1-16-3-2-4-21(24-16)27-13-18(23-14-27)22(28)26-9-7-25(8-10-26)12-17-5-6-19-20(11-17)30-15-29-19/h2-6,11,13-14H,7-10,12,15H2,1H3/p+1