6,7-dimethyl-4-(4-methylpiperazin-4-ium-1-yl)-2-oxidanylidene-chromene-3-carbonitrile

Systemtic Name: 6,7-dimethyl-4-(4-methylpiperazin-4-ium-1-yl)-2-oxidanylidene-chromene-3-carbonitrile Openeye Name: 6,7-dimethyl-4-(4-methylpiperazin-4-ium-1-yl)-2-oxo-chromene-3-carbonitrile CAS Name: 6,7-dimethyl-4-(4-methyl-1-piperazin-4-iumyl)-2-oxo-1-benzopyran-3-carbonitrile IUPAC Name: 6,7-dimethyl-4-(4-methylpiperazin-4-ium-1-yl)-2-oxochromene-3-carbonitrile Traditional Name: 2-keto-6,7-dimethyl-4-(4-methylpiperazin-4-ium-1-yl)chromene-3-carbonitrile Formula: C17H20N3O2+ MolecularWeight: 298.3596

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)C(=C(C(=O)O2)C#N)N3CC[NH+](CC3)C)C

Isomeric SMILES

CC1=C(C=C2C(=C1)C(=C(C(=O)O2)C#N)N3CC[NH+](CC3)C)C

InChI

InChI=1S/C17H19N3O2/c1-11-8-13-15(9-12(11)2)22-17(21)14(10-18)16(13)20-6-4-19(3)5-7-20/h8-9H,4-7H2,1-3H3/p+1