[4-[(3R)-2,5-bis(oxidanylidene)-3-piperidin-1-ium-1-yl-pyrrolidin-1-yl]phenyl] propanoate

Systemtic Name: [4-[(3R)-2,5-bis(oxidanylidene)-3-piperidin-1-ium-1-yl-pyrrolidin-1-yl]phenyl] propanoate Openeye Name: [4-[(3R)-2,5-dioxo-3-piperidin-1-ium-1-yl-pyrrolidin-1-yl]phenyl] propanoate CAS Name: propanoic acid [4-[(3R)-2,5-dioxo-3-(1-piperidin-1-iumyl)-1-pyrrolidinyl]phenyl] ester IUPAC Name: [4-[(3R)-2,5-dioxo-3-piperidin-1-ium-1-ylpyrrolidin-1-yl]phenyl] propanoate Traditional Name: propionic acid [4-[(3R)-2,5-diketo-3-piperidin-1-ium-1-yl-pyrrolidino]phenyl] ester Formula: C18H23N2O4+ MolecularWeight: 331.38622

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)OC1=CC=C(C=C1)N2C(=O)CC(C2=O)[NH+]3CCCCC3

Isomeric SMILES

CCC(=O)OC1=CC=C(C=C1)N2C(=O)C[C@H](C2=O)[NH+]3CCCCC3

InChI

InChI=1S/C18H22N2O4/c1-2-17(22)24-14-8-6-13(7-9-14)20-16(21)12-15(18(20)23)19-10-4-3-5-11-19/h6-9,15H,2-5,10-12H2,1H3/p+1/t15-/m1/s1