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

Systemtic Name: 7-methoxy-4-methyl-3-[3-oxidanylidene-3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propyl]chromen-2-one Openeye Name: 7-methoxy-4-methyl-3-[3-oxo-3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propyl]chromen-2-one CAS Name: 7-methoxy-4-methyl-3-[3-oxo-3-[4-(2-pyridin-1-iumyl)-1-piperazinyl]propyl]-1-benzopyran-2-one IUPAC Name: 7-methoxy-4-methyl-3-[3-oxo-3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propyl]chromen-2-one Traditional Name: 3-[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=C(C(=O)OC2=C1C=CC(=C2)OC)CCC(=O)N3CCN(CC3)C4=CC=CC=[NH+]4

Isomeric SMILES

CC1=C(C(=O)OC2=C1C=CC(=C2)OC)CCC(=O)N3CCN(CC3)C4=CC=CC=[NH+]4

InChI

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