3-methyl-N-[6-(4-methylpiperazin-4-ium-1-yl)pyridin-3-yl]-4-oxidanylidene-2-phenyl-chromene-8-carboxamide

Systemtic Name: 3-methyl-N-[6-(4-methylpiperazin-4-ium-1-yl)pyridin-3-yl]-4-oxidanylidene-2-phenyl-chromene-8-carboxamide Openeye Name: 3-methyl-N-[6-(4-methylpiperazin-4-ium-1-yl)-3-pyridyl]-4-oxo-2-phenyl-chromene-8-carboxamide CAS Name: 3-methyl-N-[6-(4-methyl-1-piperazin-4-iumyl)-3-pyridinyl]-4-oxo-2-phenyl-1-benzopyran-8-carboxamide IUPAC Name: 3-methyl-N-[6-(4-methylpiperazin-4-ium-1-yl)pyridin-3-yl]-4-oxo-2-phenylchromene-8-carboxamide Traditional Name: 4-keto-3-methyl-N-[6-(4-methylpiperazin-4-ium-1-yl)-3-pyridyl]-2-phenyl-chromene-8-carboxamide Formula: C27H27N4O3+ MolecularWeight: 455.52828

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C(C1=O)C=CC=C2C(=O)NC3=CN=C(C=C3)N4CC[NH+](CC4)C)C5=CC=CC=C5

Isomeric SMILES

CC1=C(OC2=C(C1=O)C=CC=C2C(=O)NC3=CN=C(C=C3)N4CC[NH+](CC4)C)C5=CC=CC=C5

InChI

InChI=1S/C27H26N4O3/c1-18-24(32)21-9-6-10-22(26(21)34-25(18)19-7-4-3-5-8-19)27(33)29-20-11-12-23(28-17-20)31-15-13-30(2)14-16-31/h3-12,17H,13-16H2,1-2H3,(H,29,33)/p+1