4-(4-methylpiperazin-4-ium-1-yl)-3-(piperidin-1-ium-1-ylmethyl)chromen-2-one

Systemtic Name: 4-(4-methylpiperazin-4-ium-1-yl)-3-(piperidin-1-ium-1-ylmethyl)chromen-2-one Openeye Name: 4-(4-methylpiperazin-4-ium-1-yl)-3-(piperidin-1-ium-1-ylmethyl)chromen-2-one CAS Name: 4-(4-methyl-1-piperazin-4-iumyl)-3-(1-piperidin-1-iumylmethyl)-1-benzopyran-2-one IUPAC Name: 4-(4-methylpiperazin-4-ium-1-yl)-3-(piperidin-1-ium-1-ylmethyl)chromen-2-one Traditional Name: 4-(4-methylpiperazin-4-ium-1-yl)-3-(piperidin-1-ium-1-ylmethyl)coumarin Formula: C20H29N3O2+2 MolecularWeight: 343.46316

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=C(C(=O)OC3=CC=CC=C32)C[NH+]4CCCCC4

Isomeric SMILES

C[NH+]1CCN(CC1)C2=C(C(=O)OC3=CC=CC=C32)C[NH+]4CCCCC4

InChI

InChI=1S/C20H27N3O2/c1-21-11-13-23(14-12-21)19-16-7-3-4-8-18(16)25-20(24)17(19)15-22-9-5-2-6-10-22/h3-4,7-8H,2,5-6,9-15H2,1H3/p+2