ethyl 4-[2-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]amino]-2-oxidanylidene-ethyl]piperazin-4-ium-1-carboxylate

Systemtic Name: ethyl 4-[2-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]amino]-2-oxidanylidene-ethyl]piperazin-4-ium-1-carboxylate Openeye Name: ethyl 4-[2-[4-(morpholin-4-ium-4-ylmethyl)anilino]-2-oxo-ethyl]piperazin-4-ium-1-carboxylate CAS Name: 4-[2-[4-(4-morpholin-4-iumylmethyl)anilino]-2-oxoethyl]-1-piperazin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-[4-(morpholin-4-ium-4-ylmethyl)anilino]-2-oxoethyl]piperazin-4-ium-1-carboxylate Traditional Name: 4-[2-keto-2-[4-(morpholin-4-ium-4-ylmethyl)anilino]ethyl]piperazin-4-ium-1-carboxylic acid ethyl ester Formula: C20H32N4O4+2 MolecularWeight: 392.49248

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CC[NH+](CC1)CC(=O)NC2=CC=C(C=C2)C[NH+]3CCOCC3

Isomeric SMILES

CCOC(=O)N1CC[NH+](CC1)CC(=O)NC2=CC=C(C=C2)C[NH+]3CCOCC3

InChI

InChI=1S/C20H30N4O4/c1-2-28-20(26)24-9-7-22(8-10-24)16-19(25)21-18-5-3-17(4-6-18)15-23-11-13-27-14-12-23/h3-6H,2,7-16H2,1H3,(H,21,25)/p+2