ethyl 4-[(3-morpholin-4-ylcarbonyl-2-oxidanyl-naphthalen-1-yl)methyl]piperazin-4-ium-1-carboxylate

Systemtic Name: ethyl 4-[(3-morpholin-4-ylcarbonyl-2-oxidanyl-naphthalen-1-yl)methyl]piperazin-4-ium-1-carboxylate Openeye Name: ethyl 4-[[2-hydroxy-3-(morpholine-4-carbonyl)-1-naphthyl]methyl]piperazin-4-ium-1-carboxylate CAS Name: 4-[[2-hydroxy-3-[4-morpholinyl(oxo)methyl]-1-naphthalenyl]methyl]-1-piperazin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[2-hydroxy-3-(morpholine-4-carbonyl)naphthalen-1-yl]methyl]piperazin-4-ium-1-carboxylate Traditional Name: 4-[[2-hydroxy-3-(morpholine-4-carbonyl)-1-naphthyl]methyl]piperazin-4-ium-1-carboxylic acid ethyl ester Formula: C23H30N3O5+ MolecularWeight: 428.5014

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CC[NH+](CC1)CC2=C(C(=CC3=CC=CC=C32)C(=O)N4CCOCC4)O

Isomeric SMILES

CCOC(=O)N1CC[NH+](CC1)CC2=C(C(=CC3=CC=CC=C32)C(=O)N4CCOCC4)O

InChI

InChI=1S/C23H29N3O5/c1-2-31-23(29)26-9-7-24(8-10-26)16-20-18-6-4-3-5-17(18)15-19(21(20)27)22(28)25-11-13-30-14-12-25/h3-6,15,27H,2,7-14,16H2,1H3/p+1