7-methoxy-4-methyl-6-[3-oxidanylidene-3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propyl]chromen-2-one

Systemtic Name: 7-methoxy-4-methyl-6-[3-oxidanylidene-3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propyl]chromen-2-one Openeye Name: 7-methoxy-4-methyl-6-[3-oxo-3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propyl]chromen-2-one CAS Name: 7-methoxy-4-methyl-6-[3-oxo-3-[4-(2-pyridin-1-iumyl)-1-piperazinyl]propyl]-1-benzopyran-2-one IUPAC Name: 7-methoxy-4-methyl-6-[3-oxo-3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propyl]chromen-2-one Traditional Name: 6-[3-keto-3-(4-pyridin-1-ium-2-ylpiperazino)propyl]-7-methoxy-4-methyl-coumarin Formula: C23H26N3O4+ MolecularWeight: 408.47024

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)OC2=CC(=C(C=C12)CCC(=O)N3CCN(CC3)C4=CC=CC=[NH+]4)OC

Isomeric SMILES

CC1=CC(=O)OC2=CC(=C(C=C12)CCC(=O)N3CCN(CC3)C4=CC=CC=[NH+]4)OC

InChI

InChI=1S/C23H25N3O4/c1-16-13-23(28)30-20-15-19(29-2)17(14-18(16)20)6-7-22(27)26-11-9-25(10-12-26)21-5-3-4-8-24-21/h3-5,8,13-15H,6-7,9-12H2,1-2H3/p+1