[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-[2-(4-ethoxyphenyl)quinolin-4-yl]methanone

Systemtic Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-[2-(4-ethoxyphenyl)quinolin-4-yl]methanone Openeye Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-[2-(4-ethoxyphenyl)-4-quinolyl]methanone CAS Name: [4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-4-iumyl]-[2-(4-ethoxyphenyl)-4-quinolinyl]methanone IUPAC Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-[2-(4-ethoxyphenyl)quinolin-4-yl]methanone Traditional Name: (4-piperonylpiperazin-4-ium-1-yl)-(2-p-phenetyl-4-quinolyl)methanone Formula: C30H30N3O4+ MolecularWeight: 496.5769

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)N4CC[NH+](CC4)CC5=CC6=C(C=C5)OCO6

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)N4CC[NH+](CC4)CC5=CC6=C(C=C5)OCO6

InChI

InChI=1S/C30H29N3O4/c1-2-35-23-10-8-22(9-11-23)27-18-25(24-5-3-4-6-26(24)31-27)30(34)33-15-13-32(14-16-33)19-21-7-12-28-29(17-21)37-20-36-28/h3-12,17-18H,2,13-16,19-20H2,1H3/p+1