ethyl 3-[[1-(1-azanylpiperidin-1-ium-1-yl)-1-oxidanylidene-3-phenyl-propan-2-yl]carbamoyl]aziridine-2-carboxylate

Systemtic Name: ethyl 3-[[1-(1-azanylpiperidin-1-ium-1-yl)-1-oxidanylidene-3-phenyl-propan-2-yl]carbamoyl]aziridine-2-carboxylate Openeye Name: ethyl 3-[[2-(1-aminopiperidin-1-ium-1-yl)-1-benzyl-2-oxo-ethyl]carbamoyl]aziridine-2-carboxylate CAS Name: 3-[[[1-(1-amino-1-piperidin-1-iumyl)-1-oxo-3-phenylpropan-2-yl]amino]-oxomethyl]-2-aziridinecarboxylic acid ethyl ester IUPAC Name: ethyl 3-[[1-(1-aminopiperidin-1-ium-1-yl)-1-oxo-3-phenylpropan-2-yl]carbamoyl]aziridine-2-carboxylate Traditional Name: 3-[[2-(1-aminopiperidin-1-ium-1-yl)-1-benzyl-2-keto-ethyl]carbamoyl]ethylenimine-2-carboxylic acid ethyl ester Formula: C20H29N4O4+ MolecularWeight: 389.46866

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(N1)C(=O)NC(CC2=CC=CC=C2)C(=O)[N+]3(CCCCC3)N

Isomeric SMILES

CCOC(=O)C1C(N1)C(=O)NC(CC2=CC=CC=C2)C(=O)[N+]3(CCCCC3)N

InChI

InChI=1S/C20H28N4O4/c1-2-28-20(27)17-16(23-17)18(25)22-15(13-14-9-5-3-6-10-14)19(26)24(21)11-7-4-8-12-24/h3,5-6,9-10,15-17,23H,2,4,7-8,11-13,21H2,1H3/p+1