2-[4-[4-[(4-methoxyphenyl)methyl]piperazin-4-ium-1-yl]-4-oxidanylidene-butyl]isoindole-1,3-dione

Systemtic Name: 2-[4-[4-[(4-methoxyphenyl)methyl]piperazin-4-ium-1-yl]-4-oxidanylidene-butyl]isoindole-1,3-dione Openeye Name: 2-[4-[4-[(4-methoxyphenyl)methyl]piperazin-4-ium-1-yl]-4-oxo-butyl]isoindoline-1,3-dione CAS Name: 2-[4-[4-[(4-methoxyphenyl)methyl]-1-piperazin-4-iumyl]-4-oxobutyl]isoindole-1,3-dione IUPAC Name: 2-[4-[4-[(4-methoxyphenyl)methyl]piperazin-4-ium-1-yl]-4-oxobutyl]isoindole-1,3-dione Traditional Name: 2-[4-keto-4-(4-p-anisylpiperazin-4-ium-1-yl)butyl]isoindoline-1,3-quinone Formula: C24H28N3O4+ MolecularWeight: 422.49682

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C[NH+]2CCN(CC2)C(=O)CCCN3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

COC1=CC=C(C=C1)C[NH+]2CCN(CC2)C(=O)CCCN3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C24H27N3O4/c1-31-19-10-8-18(9-11-19)17-25-13-15-26(16-14-25)22(28)7-4-12-27-23(29)20-5-2-3-6-21(20)24(27)30/h2-3,5-6,8-11H,4,7,12-17H2,1H3/p+1