8-[(4-methylpiperazin-4-ium-1-yl)methyl]-3-(1H-pyridin-2-ylidene)chromene-2,7-dione

Systemtic Name: 8-[(4-methylpiperazin-4-ium-1-yl)methyl]-3-(1H-pyridin-2-ylidene)chromene-2,7-dione Openeye Name: 8-[(4-methylpiperazin-4-ium-1-yl)methyl]-3-(1H-pyridin-2-ylidene)chromene-2,7-dione CAS Name: 8-[(4-methyl-1-piperazin-4-iumyl)methyl]-3-(1H-pyridin-2-ylidene)-1-benzopyran-2,7-dione IUPAC Name: 8-[(4-methylpiperazin-4-ium-1-yl)methyl]-3-(1H-pyridin-2-ylidene)chromene-2,7-dione Traditional Name: 8-[(4-methylpiperazin-4-ium-1-yl)methyl]-3-(1H-pyridin-2-ylidene)chromene-2,7-quinone Formula: C20H22N3O3+ MolecularWeight: 352.40698

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)CC2=C3C(=CC(=C4C=CC=CN4)C(=O)O3)C=CC2=O

Isomeric SMILES

C[NH+]1CCN(CC1)CC2=C3C(=CC(=C4C=CC=CN4)C(=O)O3)C=CC2=O

InChI

InChI=1S/C20H21N3O3/c1-22-8-10-23(11-9-22)13-16-18(24)6-5-14-12-15(20(25)26-19(14)16)17-4-2-3-7-21-17/h2-7,12,21H,8-11,13H2,1H3/p+1