2-[[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-5-(2-oxidanylidene-2-pyrrolidin-1-yl-ethoxy)pyran-4-one

Systemtic Name: 2-[[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-5-(2-oxidanylidene-2-pyrrolidin-1-yl-ethoxy)pyran-4-one Openeye Name: 2-[[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-5-(2-oxo-2-pyrrolidin-1-yl-ethoxy)pyran-4-one CAS Name: 2-[[4-(2-methoxyphenyl)-1-piperazin-1-iumyl]methyl]-5-[2-oxo-2-(1-pyrrolidinyl)ethoxy]-4-pyranone IUPAC Name: 2-[[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-5-(2-oxo-2-pyrrolidin-1-ylethoxy)pyran-4-one Traditional Name: 5-(2-keto-2-pyrrolidino-ethoxy)-2-[[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]methyl]pyran-4-one Formula: C23H30N3O5+ MolecularWeight: 428.5014

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2CC[NH+](CC2)CC3=CC(=O)C(=CO3)OCC(=O)N4CCCC4

Isomeric SMILES

COC1=CC=CC=C1N2CC[NH+](CC2)CC3=CC(=O)C(=CO3)OCC(=O)N4CCCC4

InChI

InChI=1S/C23H29N3O5/c1-29-21-7-3-2-6-19(21)25-12-10-24(11-13-25)15-18-14-20(27)22(16-30-18)31-17-23(28)26-8-4-5-9-26/h2-3,6-7,14,16H,4-5,8-13,15,17H2,1H3/p+1