[3-[(4-piperazin-4-ium-1-ylphenyl)iminomethyl]phenyl] 1,3-benzodioxole-5-carboxylate

Systemtic Name: [3-[(4-piperazin-4-ium-1-ylphenyl)iminomethyl]phenyl] 1,3-benzodioxole-5-carboxylate Openeye Name: [3-[(4-piperazin-4-ium-1-ylphenyl)iminomethyl]phenyl] 1,3-benzodioxole-5-carboxylate CAS Name: 1,3-benzodioxole-5-carboxylic acid [3-[[4-(1-piperazin-4-iumyl)phenyl]iminomethyl]phenyl] ester IUPAC Name: [3-[(4-piperazin-4-ium-1-ylphenyl)iminomethyl]phenyl] 1,3-benzodioxole-5-carboxylate Traditional Name: piperonylic acid [3-[(4-piperazin-4-ium-1-ylphenyl)iminomethyl]phenyl] ester Formula: C25H24N3O4+ MolecularWeight: 430.47576

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH2+]1)C2=CC=C(C=C2)N=CC3=CC(=CC=C3)OC(=O)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1CN(CC[NH2+]1)C2=CC=C(C=C2)N=CC3=CC(=CC=C3)OC(=O)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C25H23N3O4/c29-25(19-4-9-23-24(15-19)31-17-30-23)32-22-3-1-2-18(14-22)16-27-20-5-7-21(8-6-20)28-12-10-26-11-13-28/h1-9,14-16,26H,10-13,17H2/p+1