2-[2-[4-(8-methoxy-2-oxidanylidene-chromen-3-yl)carbonylpiperazin-1-ium-1-yl]ethyl]benzo[de]isoquinoline-1,3-dione

Systemtic Name: 2-[2-[4-(8-methoxy-2-oxidanylidene-chromen-3-yl)carbonylpiperazin-1-ium-1-yl]ethyl]benzo[de]isoquinoline-1,3-dione Openeye Name: 2-[2-[4-(8-methoxy-2-oxo-chromene-3-carbonyl)piperazin-1-ium-1-yl]ethyl]benzo[de]isoquinoline-1,3-dione CAS Name: 2-[2-[4-[(8-methoxy-2-oxo-1-benzopyran-3-yl)-oxomethyl]-1-piperazin-1-iumyl]ethyl]benzo[de]isoquinoline-1,3-dione IUPAC Name: 2-[2-[4-(8-methoxy-2-oxochromene-3-carbonyl)piperazin-1-ium-1-yl]ethyl]benzo[de]isoquinoline-1,3-dione Traditional Name: 2-[2-[4-(2-keto-8-methoxy-chromene-3-carbonyl)piperazin-1-ium-1-yl]ethyl]benzo[de]isoquinoline-1,3-quinone Formula: C29H26N3O6+ MolecularWeight: 512.53324

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC2=C1OC(=O)C(=C2)C(=O)N3CC[NH+](CC3)CCN4C(=O)C5=CC=CC6=C5C(=CC=C6)C4=O

Isomeric SMILES

COC1=CC=CC2=C1OC(=O)C(=C2)C(=O)N3CC[NH+](CC3)CCN4C(=O)C5=CC=CC6=C5C(=CC=C6)C4=O

InChI

InChI=1S/C29H25N3O6/c1-37-23-10-4-7-19-17-22(29(36)38-25(19)23)26(33)31-14-11-30(12-15-31)13-16-32-27(34)20-8-2-5-18-6-3-9-21(24(18)20)28(32)35/h2-10,17H,11-16H2,1H3/p+1