8-methoxy-2-oxidanylidene-N-(4-piperazin-4-ium-1-ylphenyl)chromene-3-carboxamide

Systemtic Name: 8-methoxy-2-oxidanylidene-N-(4-piperazin-4-ium-1-ylphenyl)chromene-3-carboxamide Openeye Name: 8-methoxy-2-oxo-N-(4-piperazin-4-ium-1-ylphenyl)chromene-3-carboxamide CAS Name: 8-methoxy-2-oxo-N-[4-(1-piperazin-4-iumyl)phenyl]-1-benzopyran-3-carboxamide IUPAC Name: 8-methoxy-2-oxo-N-(4-piperazin-4-ium-1-ylphenyl)chromene-3-carboxamide Traditional Name: 2-keto-8-methoxy-N-(4-piperazin-4-ium-1-ylphenyl)chromene-3-carboxamide Formula: C21H22N3O4+ MolecularWeight: 380.41708

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC2=C1OC(=O)C(=C2)C(=O)NC3=CC=C(C=C3)N4CC[NH2+]CC4

Isomeric SMILES

COC1=CC=CC2=C1OC(=O)C(=C2)C(=O)NC3=CC=C(C=C3)N4CC[NH2+]CC4

InChI

InChI=1S/C21H21N3O4/c1-27-18-4-2-3-14-13-17(21(26)28-19(14)18)20(25)23-15-5-7-16(8-6-15)24-11-9-22-10-12-24/h2-8,13,22H,9-12H2,1H3,(H,23,25)/p+1