3-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-4-ium-1-yl]carbonylchromen-2-one

Systemtic Name: 3-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-4-ium-1-yl]carbonylchromen-2-one Openeye Name: 3-[4-(2,3-dihydrobenzofuran-5-ylmethyl)piperazin-4-ium-1-carbonyl]chromen-2-one CAS Name: 3-[[4-(2,3-dihydrobenzofuran-5-ylmethyl)-1-piperazin-4-iumyl]-oxomethyl]-1-benzopyran-2-one IUPAC Name: 3-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-4-ium-1-carbonyl]chromen-2-one Traditional Name: 3-[4-(coumaran-5-ylmethyl)piperazin-4-ium-1-carbonyl]coumarin Formula: C23H23N2O4+ MolecularWeight: 391.43972

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C1C=C(C=C2)C[NH+]3CCN(CC3)C(=O)C4=CC5=CC=CC=C5OC4=O

Isomeric SMILES

C1COC2=C1C=C(C=C2)C[NH+]3CCN(CC3)C(=O)C4=CC5=CC=CC=C5OC4=O

InChI

InChI=1S/C23H22N2O4/c26-22(19-14-17-3-1-2-4-21(17)29-23(19)27)25-10-8-24(9-11-25)15-16-5-6-20-18(13-16)7-12-28-20/h1-6,13-14H,7-12,15H2/p+1