4,7-dimethyl-3-[3-oxidanylidene-3-[4-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)piperazin-4-ium-1-yl]propyl]chromen-2-one

Systemtic Name: 4,7-dimethyl-3-[3-oxidanylidene-3-[4-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)piperazin-4-ium-1-yl]propyl]chromen-2-one Openeye Name: 4,7-dimethyl-3-[3-oxo-3-[4-(2-oxo-2-pyrrolidin-1-yl-ethyl)piperazin-4-ium-1-yl]propyl]chromen-2-one CAS Name: 4,7-dimethyl-3-[3-oxo-3-[4-[2-oxo-2-(1-pyrrolidinyl)ethyl]-1-piperazin-4-iumyl]propyl]-1-benzopyran-2-one IUPAC Name: 4,7-dimethyl-3-[3-oxo-3-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-4-ium-1-yl]propyl]chromen-2-one Traditional Name: 3-[3-keto-3-[4-(2-keto-2-pyrrolidino-ethyl)piperazin-4-ium-1-yl]propyl]-4,7-dimethyl-coumarin Formula: C24H32N3O4+ MolecularWeight: 426.52858

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=C(C(=O)O2)CCC(=O)N3CC[NH+](CC3)CC(=O)N4CCCC4)C

Isomeric SMILES

CC1=CC2=C(C=C1)C(=C(C(=O)O2)CCC(=O)N3CC[NH+](CC3)CC(=O)N4CCCC4)C

InChI

InChI=1S/C24H31N3O4/c1-17-5-6-19-18(2)20(24(30)31-21(19)15-17)7-8-22(28)27-13-11-25(12-14-27)16-23(29)26-9-3-4-10-26/h5-6,15H,3-4,7-14,16H2,1-2H3/p+1