(phenylmethyl) 1-[(2-azanyl-2-oxidanylidene-ethyl)carbamoyl]-4-(2-oxidanylidenepiperidin-1-yl)piperidin-1-ium-1-carboxylate

Systemtic Name: (phenylmethyl) 1-[(2-azanyl-2-oxidanylidene-ethyl)carbamoyl]-4-(2-oxidanylidenepiperidin-1-yl)piperidin-1-ium-1-carboxylate Openeye Name: benzyl 1-[(2-amino-2-oxo-ethyl)carbamoyl]-4-(2-oxo-1-piperidyl)piperidin-1-ium-1-carboxylate CAS Name: 1-[[(2-amino-2-oxoethyl)amino]-oxomethyl]-4-(2-oxo-1-piperidinyl)-1-piperidin-1-iumcarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 1-[(2-amino-2-oxoethyl)carbamoyl]-4-(2-oxopiperidin-1-yl)piperidin-1-ium-1-carboxylate Traditional Name: 1-[(2-amino-2-keto-ethyl)carbamoyl]-4-(2-ketopiperidino)piperidin-1-ium-1-carboxylic acid benzyl ester Formula: C21H29N4O5+ MolecularWeight: 417.47876

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(=O)C1)C2CC[N+](CC2)(C(=O)NCC(=O)N)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

C1CCN(C(=O)C1)C2CC[N+](CC2)(C(=O)NCC(=O)N)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C21H28N4O5/c22-18(26)14-23-20(28)25(21(29)30-15-16-6-2-1-3-7-16)12-9-17(10-13-25)24-11-5-4-8-19(24)27/h1-3,6-7,17H,4-5,8-15H2,(H2-,22,23,26,28)/p+1