tert-butyl 4-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methylcarbamoyl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methylcarbamoyl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methylcarbamoyl]piperidine-1-carboxylate CAS Name: 4-[[[2-(4-morpholin-4-iumylmethyl)phenyl]methylamino]-oxomethyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methylcarbamoyl]piperidine-1-carboxylate Traditional Name: 4-[[2-(morpholin-4-ium-4-ylmethyl)benzyl]carbamoyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C23H36N3O4+ MolecularWeight: 418.54964

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)C(=O)NCC2=CC=CC=C2C[NH+]3CCOCC3

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)C(=O)NCC2=CC=CC=C2C[NH+]3CCOCC3

InChI

InChI=1S/C23H35N3O4/c1-23(2,3)30-22(28)26-10-8-18(9-11-26)21(27)24-16-19-6-4-5-7-20(19)17-25-12-14-29-15-13-25/h4-7,18H,8-17H2,1-3H3,(H,24,27)/p+1