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

Systemtic Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-[2-(4-propan-2-ylphenyl)quinolin-4-yl]methanone Openeye Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-[2-(4-isopropylphenyl)-4-quinolyl]methanone CAS Name: [4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-4-iumyl]-[2-(4-propan-2-ylphenyl)-4-quinolinyl]methanone IUPAC Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-[2-(4-propan-2-ylphenyl)quinolin-4-yl]methanone Traditional Name: (2-p-cumenyl-4-quinolyl)-(4-piperonylpiperazin-4-ium-1-yl)methanone Formula: C31H32N3O3+ MolecularWeight: 494.60408

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H31N3O3/c1-21(2)23-8-10-24(11-9-23)28-18-26(25-5-3-4-6-27(25)32-28)31(35)34-15-13-33(14-16-34)19-22-7-12-29-30(17-22)37-20-36-29/h3-12,17-18,21H,13-16,19-20H2,1-2H3/p+1