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

Systemtic Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-[2-(4-phenylphenyl)quinolin-4-yl]methanone Openeye Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-[2-(4-phenylphenyl)-4-quinolyl]methanone CAS Name: [4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-4-iumyl]-[2-(4-phenylphenyl)-4-quinolinyl]methanone IUPAC Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-[2-(4-phenylphenyl)quinolin-4-yl]methanone Traditional Name: [2-(4-phenylphenyl)-4-quinolyl]-(4-piperonylpiperazin-4-ium-1-yl)methanone Formula: C34H30N3O3+ MolecularWeight: 528.6203

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC3=C(C=C2)OCO3)C(=O)C4=CC(=NC5=CC=CC=C54)C6=CC=C(C=C6)C7=CC=CC=C7

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC3=C(C=C2)OCO3)C(=O)C4=CC(=NC5=CC=CC=C54)C6=CC=C(C=C6)C7=CC=CC=C7

InChI

InChI=1S/C34H29N3O3/c38-34(37-18-16-36(17-19-37)22-24-10-15-32-33(20-24)40-23-39-32)29-21-31(35-30-9-5-4-8-28(29)30)27-13-11-26(12-14-27)25-6-2-1-3-7-25/h1-15,20-21H,16-19,22-23H2/p+1