7,8-dimethyl-4-(4-methylpiperazin-4-ium-1-yl)-2-oxidanylidene-chromene-3-carbaldehyde

Systemtic Name: 7,8-dimethyl-4-(4-methylpiperazin-4-ium-1-yl)-2-oxidanylidene-chromene-3-carbaldehyde Openeye Name: 7,8-dimethyl-4-(4-methylpiperazin-4-ium-1-yl)-2-oxo-chromene-3-carbaldehyde CAS Name: 7,8-dimethyl-4-(4-methyl-1-piperazin-4-iumyl)-2-oxo-1-benzopyran-3-carboxaldehyde IUPAC Name: 7,8-dimethyl-4-(4-methylpiperazin-4-ium-1-yl)-2-oxochromene-3-carbaldehyde Traditional Name: 2-keto-7,8-dimethyl-4-(4-methylpiperazin-4-ium-1-yl)chromene-3-carbaldehyde Formula: C17H21N2O3+ MolecularWeight: 301.36024

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C(=C(C(=O)O2)C=O)N3CC[NH+](CC3)C)C

Isomeric SMILES

CC1=C(C2=C(C=C1)C(=C(C(=O)O2)C=O)N3CC[NH+](CC3)C)C

InChI

InChI=1S/C17H20N2O3/c1-11-4-5-13-15(19-8-6-18(3)7-9-19)14(10-20)17(21)22-16(13)12(11)2/h4-5,10H,6-9H2,1-3H3/p+1