3-[5-(4-methoxyphenyl)furan-2-yl]-1-[4-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)piperazin-4-ium-1-yl]propan-1-one

Systemtic Name: 3-[5-(4-methoxyphenyl)furan-2-yl]-1-[4-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)piperazin-4-ium-1-yl]propan-1-one Openeye Name: 3-[5-(4-methoxyphenyl)-2-furyl]-1-[4-(2-oxo-2-pyrrolidin-1-yl-ethyl)piperazin-4-ium-1-yl]propan-1-one CAS Name: 3-[5-(4-methoxyphenyl)-2-furanyl]-1-[4-[2-oxo-2-(1-pyrrolidinyl)ethyl]-1-piperazin-4-iumyl]-1-propanone IUPAC Name: 3-[5-(4-methoxyphenyl)furan-2-yl]-1-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-4-ium-1-yl]propan-1-one Traditional Name: 1-[4-(2-keto-2-pyrrolidino-ethyl)piperazin-4-ium-1-yl]-3-[5-(4-methoxyphenyl)-2-furyl]propan-1-one Formula: C24H32N3O4+ MolecularWeight: 426.52858

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=CC=C(O2)CCC(=O)N3CC[NH+](CC3)CC(=O)N4CCCC4

Isomeric SMILES

COC1=CC=C(C=C1)C2=CC=C(O2)CCC(=O)N3CC[NH+](CC3)CC(=O)N4CCCC4

InChI

InChI=1S/C24H31N3O4/c1-30-20-6-4-19(5-7-20)22-10-8-21(31-22)9-11-23(28)27-16-14-25(15-17-27)18-24(29)26-12-2-3-13-26/h4-8,10H,2-3,9,11-18H2,1H3/p+1