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

Systemtic Name: 4-(4-methylpiperazin-4-ium-1-yl)-3-(pyrrolidin-1-ium-1-ylmethyl)chromen-2-one Openeye Name: 4-(4-methylpiperazin-4-ium-1-yl)-3-(pyrrolidin-1-ium-1-ylmethyl)chromen-2-one CAS Name: 4-(4-methyl-1-piperazin-4-iumyl)-3-(1-pyrrolidin-1-iumylmethyl)-1-benzopyran-2-one IUPAC Name: 4-(4-methylpiperazin-4-ium-1-yl)-3-(pyrrolidin-1-ium-1-ylmethyl)chromen-2-one Traditional Name: 4-(4-methylpiperazin-4-ium-1-yl)-3-(pyrrolidin-1-ium-1-ylmethyl)coumarin Formula: C19H27N3O2+2 MolecularWeight: 329.43658

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=C(C(=O)OC3=CC=CC=C32)C[NH+]4CCCC4

Isomeric SMILES

C[NH+]1CCN(CC1)C2=C(C(=O)OC3=CC=CC=C32)C[NH+]4CCCC4

InChI

InChI=1S/C19H25N3O2/c1-20-10-12-22(13-11-20)18-15-6-2-3-7-17(15)24-19(23)16(18)14-21-8-4-5-9-21/h2-3,6-7H,4-5,8-14H2,1H3/p+2