2-[[4-(3-chlorophenyl)piperazin-1-ium-1-yl]methyl]-5-(2-pyrrolidin-1-ium-1-ylethoxy)pyran-4-one

Systemtic Name: 2-[[4-(3-chlorophenyl)piperazin-1-ium-1-yl]methyl]-5-(2-pyrrolidin-1-ium-1-ylethoxy)pyran-4-one Openeye Name: 2-[[4-(3-chlorophenyl)piperazin-1-ium-1-yl]methyl]-5-(2-pyrrolidin-1-ium-1-ylethoxy)pyran-4-one CAS Name: 2-[[4-(3-chlorophenyl)-1-piperazin-1-iumyl]methyl]-5-[2-(1-pyrrolidin-1-iumyl)ethoxy]-4-pyranone IUPAC Name: 2-[[4-(3-chlorophenyl)piperazin-1-ium-1-yl]methyl]-5-(2-pyrrolidin-1-ium-1-ylethoxy)pyran-4-one Traditional Name: 2-[[4-(3-chlorophenyl)piperazin-1-ium-1-yl]methyl]-5-(2-pyrrolidin-1-ium-1-ylethoxy)pyran-4-one Formula: C22H30ClN3O3+2 MolecularWeight: 419.9449

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CCOC2=COC(=CC2=O)C[NH+]3CCN(CC3)C4=CC(=CC=C4)Cl

Isomeric SMILES

C1CC[NH+](C1)CCOC2=COC(=CC2=O)C[NH+]3CCN(CC3)C4=CC(=CC=C4)Cl

InChI

InChI=1S/C22H28ClN3O3/c23-18-4-3-5-19(14-18)26-10-8-25(9-11-26)16-20-15-21(27)22(17-29-20)28-13-12-24-6-1-2-7-24/h3-5,14-15,17H,1-2,6-13,16H2/p+2