4-[(4-ethylpiperazin-4-ium-1-yl)methylidene]-2-(3-methoxyphenyl)isoquinoline-1,3-dione

Systemtic Name: 4-[(4-ethylpiperazin-4-ium-1-yl)methylidene]-2-(3-methoxyphenyl)isoquinoline-1,3-dione Openeye Name: 4-[(4-ethylpiperazin-4-ium-1-yl)methylene]-2-(3-methoxyphenyl)isoquinoline-1,3-dione CAS Name: 4-[(4-ethyl-1-piperazin-4-iumyl)methylidene]-2-(3-methoxyphenyl)isoquinoline-1,3-dione IUPAC Name: 4-[(4-ethylpiperazin-4-ium-1-yl)methylidene]-2-(3-methoxyphenyl)isoquinoline-1,3-dione Traditional Name: 4-[(4-ethylpiperazin-4-ium-1-yl)methylene]-2-(3-methoxyphenyl)isoquinoline-1,3-quinone Formula: C23H26N3O3+ MolecularWeight: 392.47084

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C=C2C3=CC=CC=C3C(=O)N(C2=O)C4=CC(=CC=C4)OC

Isomeric SMILES

CC[NH+]1CCN(CC1)C=C2C3=CC=CC=C3C(=O)N(C2=O)C4=CC(=CC=C4)OC

InChI

InChI=1S/C23H25N3O3/c1-3-24-11-13-25(14-12-24)16-21-19-9-4-5-10-20(19)22(27)26(23(21)28)17-7-6-8-18(15-17)29-2/h4-10,15-16H,3,11-14H2,1-2H3/p+1