1-oxidanylidene-4-phenyl-N-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]isochromene-3-carboxamide

Systemtic Name: 1-oxidanylidene-4-phenyl-N-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]isochromene-3-carboxamide Openeye Name: 1-oxo-4-phenyl-N-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]isochromene-3-carboxamide CAS Name: 1-oxo-4-phenyl-N-[2-(4-phenyl-1-piperazin-1-iumyl)ethyl]-2-benzopyran-3-carboxamide IUPAC Name: 1-oxo-4-phenyl-N-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]isochromene-3-carboxamide Traditional Name: 1-keto-4-phenyl-N-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]isochromene-3-carboxamide Formula: C28H28N3O3+ MolecularWeight: 454.54022

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCNC(=O)C2=C(C3=CC=CC=C3C(=O)O2)C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1CN(CC[NH+]1CCNC(=O)C2=C(C3=CC=CC=C3C(=O)O2)C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C28H27N3O3/c32-27(29-15-16-30-17-19-31(20-18-30)22-11-5-2-6-12-22)26-25(21-9-3-1-4-10-21)23-13-7-8-14-24(23)28(33)34-26/h1-14H,15-20H2,(H,29,32)/p+1