(3E)-3-[[(4-methylpiperazin-4-ium-1-yl)amino]methylidene]chromene-2,4-dione

Systemtic Name: (3E)-3-[[(4-methylpiperazin-4-ium-1-yl)amino]methylidene]chromene-2,4-dione Openeye Name: (3E)-3-[[(4-methylpiperazin-4-ium-1-yl)amino]methylene]chromane-2,4-dione CAS Name: (3E)-3-[[(4-methyl-1-piperazin-4-iumyl)amino]methylidene]-3,4-dihydro-2H-1-benzopyran-2,4-dione IUPAC Name: (3E)-3-[[(4-methylpiperazin-4-ium-1-yl)amino]methylidene]chromene-2,4-dione Traditional Name: (3E)-3-[[(4-methylpiperazin-4-ium-1-yl)amino]methylene]chroman-2,4-quinone Formula: C15H18N3O3+ MolecularWeight: 288.32172

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)NC=C2C(=O)C3=CC=CC=C3OC2=O

Isomeric SMILES

C[NH+]1CCN(CC1)N/C=C/2\C(=O)C3=CC=CC=C3OC2=O

InChI

InChI=1S/C15H17N3O3/c1-17-6-8-18(9-7-17)16-10-12-14(19)11-4-2-3-5-13(11)21-15(12)20/h2-5,10,16H,6-9H2,1H3/p+1/b12-10+