8-prop-2-enyl-3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)carbonyl-chromen-2-one

Systemtic Name: 8-prop-2-enyl-3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)carbonyl-chromen-2-one Openeye Name: 8-allyl-3-(4-pyridin-1-ium-2-ylpiperazine-1-carbonyl)chromen-2-one CAS Name: 3-[oxo-[4-(2-pyridin-1-iumyl)-1-piperazinyl]methyl]-8-prop-2-enyl-1-benzopyran-2-one IUPAC Name: 8-prop-2-enyl-3-(4-pyridin-1-ium-2-ylpiperazine-1-carbonyl)chromen-2-one Traditional Name: 8-allyl-3-(4-pyridin-1-ium-2-ylpiperazine-1-carbonyl)coumarin Formula: C22H22N3O3+ MolecularWeight: 376.42838

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Descriptors Computed from Structure

Canonical SMILES:

C=CCC1=CC=CC2=C1OC(=O)C(=C2)C(=O)N3CCN(CC3)C4=CC=CC=[NH+]4

Isomeric SMILES

C=CCC1=CC=CC2=C1OC(=O)C(=C2)C(=O)N3CCN(CC3)C4=CC=CC=[NH+]4

InChI

InChI=1S/C22H21N3O3/c1-2-6-16-7-5-8-17-15-18(22(27)28-20(16)17)21(26)25-13-11-24(12-14-25)19-9-3-4-10-23-19/h2-5,7-10,15H,1,6,11-14H2/p+1