6-methyl-4-(4-methylpiperazin-4-ium-1-yl)-2-oxidanylidene-chromene-3-carbonitrile

Systemtic Name: 6-methyl-4-(4-methylpiperazin-4-ium-1-yl)-2-oxidanylidene-chromene-3-carbonitrile Openeye Name: 6-methyl-4-(4-methylpiperazin-4-ium-1-yl)-2-oxo-chromene-3-carbonitrile CAS Name: 6-methyl-4-(4-methyl-1-piperazin-4-iumyl)-2-oxo-1-benzopyran-3-carbonitrile IUPAC Name: 6-methyl-4-(4-methylpiperazin-4-ium-1-yl)-2-oxochromene-3-carbonitrile Traditional Name: 2-keto-6-methyl-4-(4-methylpiperazin-4-ium-1-yl)chromene-3-carbonitrile Formula: C16H18N3O2+ MolecularWeight: 284.33302

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)OC(=O)C(=C2N3CC[NH+](CC3)C)C#N

Isomeric SMILES

CC1=CC2=C(C=C1)OC(=O)C(=C2N3CC[NH+](CC3)C)C#N

InChI

InChI=1S/C16H17N3O2/c1-11-3-4-14-12(9-11)15(13(10-17)16(20)21-14)19-7-5-18(2)6-8-19/h3-4,9H,5-8H2,1-2H3/p+1