[1-cyclohexyl-2,5-bis(oxidanylidene)-1-piperidin-1-yl-pyrrolidin-1-ium-3-yl] benzoate

Systemtic Name: [1-cyclohexyl-2,5-bis(oxidanylidene)-1-piperidin-1-yl-pyrrolidin-1-ium-3-yl] benzoate Openeye Name: [1-cyclohexyl-2,5-dioxo-1-(1-piperidyl)pyrrolidin-1-ium-3-yl] benzoate CAS Name: benzoic acid [1-cyclohexyl-2,5-dioxo-1-(1-piperidinyl)-3-pyrrolidin-1-iumyl] ester IUPAC Name: (1-cyclohexyl-2,5-dioxo-1-piperidin-1-ylpyrrolidin-1-ium-3-yl) benzoate Traditional Name: benzoic acid (1-cyclohexyl-2,5-diketo-1-piperidino-pyrrolidin-1-ium-3-yl) ester Formula: C22H29N2O4+ MolecularWeight: 385.47666

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)[N+]2(C(=O)CC(C2=O)OC(=O)C3=CC=CC=C3)N4CCCCC4

Isomeric SMILES

C1CCC(CC1)[N+]2(C(=O)CC(C2=O)OC(=O)C3=CC=CC=C3)N4CCCCC4

InChI

InChI=1S/C22H29N2O4/c25-20-16-19(28-22(27)17-10-4-1-5-11-17)21(26)24(20,18-12-6-2-7-13-18)23-14-8-3-9-15-23/h1,4-5,10-11,18-19H,2-3,6-9,12-16H2/q+1