3-[2-oxidanylidene-1-[1-(2-piperidin-4-ylethyl)piperidin-4-yl]-3-propan-2-yloxycarbonyl-piperazin-1-ium-1-yl]propanoic acid

Systemtic Name: 3-[2-oxidanylidene-1-[1-(2-piperidin-4-ylethyl)piperidin-4-yl]-3-propan-2-yloxycarbonyl-piperazin-1-ium-1-yl]propanoic acid Openeye Name: 3-[3-isopropoxycarbonyl-2-oxo-1-[1-[2-(4-piperidyl)ethyl]-4-piperidyl]piperazin-1-ium-1-yl]propanoic acid CAS Name: 3-[2-oxo-3-[oxo(propan-2-yloxy)methyl]-1-[1-[2-(4-piperidinyl)ethyl]-4-piperidinyl]-1-piperazin-1-iumyl]propanoic acid IUPAC Name: 3-[2-oxo-1-[1-(2-piperidin-4-ylethyl)piperidin-4-yl]-3-propan-2-yloxycarbonylpiperazin-1-ium-1-yl]propanoic acid Traditional Name: 3-[3-isopropoxycarbonyl-2-keto-1-[1-[2-(4-piperidyl)ethyl]-4-piperidyl]piperazin-1-ium-1-yl]propionic acid Formula: C23H41N4O5+ MolecularWeight: 453.59544

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)C1C(=O)[N+](CCN1)(CCC(=O)O)C2CCN(CC2)CCC3CCNCC3

Isomeric SMILES

CC(C)OC(=O)C1C(=O)[N+](CCN1)(CCC(=O)O)C2CCN(CC2)CCC3CCNCC3

InChI

InChI=1S/C23H40N4O5/c1-17(2)32-23(31)21-22(30)27(16-11-25-21,15-8-20(28)29)19-6-13-26(14-7-19)12-5-18-3-9-24-10-4-18/h17-19,21,24-25H,3-16H2,1-2H3/p+1