ethyl 4-[[1-(2-oxidanylidene-2-phenylazanyl-ethyl)piperidin-1-ium-4-yl]carbamoylamino]piperidine-1-carboxylate

Systemtic Name: ethyl 4-[[1-(2-oxidanylidene-2-phenylazanyl-ethyl)piperidin-1-ium-4-yl]carbamoylamino]piperidine-1-carboxylate Openeye Name: ethyl 4-[[1-(2-anilino-2-oxo-ethyl)piperidin-1-ium-4-yl]carbamoylamino]piperidine-1-carboxylate CAS Name: 4-[[[[1-(2-anilino-2-oxoethyl)-4-piperidin-1-iumyl]amino]-oxomethyl]amino]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[1-(2-anilino-2-oxoethyl)piperidin-1-ium-4-yl]carbamoylamino]piperidine-1-carboxylate Traditional Name: 4-[[1-(2-anilino-2-keto-ethyl)piperidin-1-ium-4-yl]carbamoylamino]piperidine-1-carboxylic acid ethyl ester Formula: C22H34N5O4+ MolecularWeight: 432.53646

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(CC1)NC(=O)NC2CC[NH+](CC2)CC(=O)NC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)N1CCC(CC1)NC(=O)NC2CC[NH+](CC2)CC(=O)NC3=CC=CC=C3

InChI

InChI=1S/C22H33N5O4/c1-2-31-22(30)27-14-10-19(11-15-27)25-21(29)24-18-8-12-26(13-9-18)16-20(28)23-17-6-4-3-5-7-17/h3-7,18-19H,2,8-16H2,1H3,(H,23,28)(H2,24,25,29)/p+1