6-ethoxy-4-[[4-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)piperazin-4-ium-1-yl]methyl]chromen-2-one

Systemtic Name: 6-ethoxy-4-[[4-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)piperazin-4-ium-1-yl]methyl]chromen-2-one Openeye Name: 6-ethoxy-4-[[4-(2-oxo-2-pyrrolidin-1-yl-ethyl)piperazin-4-ium-1-yl]methyl]chromen-2-one CAS Name: 6-ethoxy-4-[[4-[2-oxo-2-(1-pyrrolidinyl)ethyl]-1-piperazin-4-iumyl]methyl]-1-benzopyran-2-one IUPAC Name: 6-ethoxy-4-[[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-4-ium-1-yl]methyl]chromen-2-one Traditional Name: 6-ethoxy-4-[[4-(2-keto-2-pyrrolidino-ethyl)piperazin-4-ium-1-yl]methyl]coumarin Formula: C22H30N3O4+ MolecularWeight: 400.4913

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)OC(=O)C=C2CN3CC[NH+](CC3)CC(=O)N4CCCC4

Isomeric SMILES

CCOC1=CC2=C(C=C1)OC(=O)C=C2CN3CC[NH+](CC3)CC(=O)N4CCCC4

InChI

InChI=1S/C22H29N3O4/c1-2-28-18-5-6-20-19(14-18)17(13-22(27)29-20)15-23-9-11-24(12-10-23)16-21(26)25-7-3-4-8-25/h5-6,13-14H,2-4,7-12,15-16H2,1H3/p+1