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

Systemtic Name: tert-butyl 4-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methylcarbamoyl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methylcarbamoyl]piperidine-1-carboxylate CAS Name: 4-[oxo-[[4-(1-piperidin-1-iumylmethyl)phenyl]methylamino]methyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methylcarbamoyl]piperidine-1-carboxylate Traditional Name: 4-[[4-(piperidin-1-ium-1-ylmethyl)benzyl]carbamoyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C24H38N3O3+ MolecularWeight: 416.57682

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)C(=O)NCC2=CC=C(C=C2)C[NH+]3CCCCC3

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)C(=O)NCC2=CC=C(C=C2)C[NH+]3CCCCC3

InChI

InChI=1S/C24H37N3O3/c1-24(2,3)30-23(29)27-15-11-21(12-16-27)22(28)25-17-19-7-9-20(10-8-19)18-26-13-5-4-6-14-26/h7-10,21H,4-6,11-18H2,1-3H3,(H,25,28)/p+1