[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-(6,8-dimethyl-2-pyridin-2-yl-quinolin-4-yl)methanone

Systemtic Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-(6,8-dimethyl-2-pyridin-2-yl-quinolin-4-yl)methanone Openeye Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-[6,8-dimethyl-2-(2-pyridyl)-4-quinolyl]methanone CAS Name: [4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-4-iumyl]-[6,8-dimethyl-2-(2-pyridinyl)-4-quinolinyl]methanone IUPAC Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-(6,8-dimethyl-2-pyridin-2-ylquinolin-4-yl)methanone Traditional Name: [6,8-dimethyl-2-(2-pyridyl)-4-quinolyl]-(4-piperonylpiperazin-4-ium-1-yl)methanone Formula: C29H29N4O3+ MolecularWeight: 481.56556

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)C(=CC(=N2)C3=CC=CC=N3)C(=O)N4CC[NH+](CC4)CC5=CC6=C(C=C5)OCO6)C

Isomeric SMILES

CC1=CC(=C2C(=C1)C(=CC(=N2)C3=CC=CC=N3)C(=O)N4CC[NH+](CC4)CC5=CC6=C(C=C5)OCO6)C

InChI

InChI=1S/C29H28N4O3/c1-19-13-20(2)28-22(14-19)23(16-25(31-28)24-5-3-4-8-30-24)29(34)33-11-9-32(10-12-33)17-21-6-7-26-27(15-21)36-18-35-26/h3-8,13-16H,9-12,17-18H2,1-2H3/p+1