tert-butyl N-[[4-[[1-(phenylmethyl)piperidin-1-ium-4-yl]carbamoyl]cyclohexyl]methyl]carbamate

Systemtic Name: tert-butyl N-[[4-[[1-(phenylmethyl)piperidin-1-ium-4-yl]carbamoyl]cyclohexyl]methyl]carbamate Openeye Name: tert-butyl N-[[4-[(1-benzylpiperidin-1-ium-4-yl)carbamoyl]cyclohexyl]methyl]carbamate CAS Name: N-[[4-[oxo-[[1-(phenylmethyl)-4-piperidin-1-iumyl]amino]methyl]cyclohexyl]methyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[[4-[(1-benzylpiperidin-1-ium-4-yl)carbamoyl]cyclohexyl]methyl]carbamate Traditional Name: N-[[4-[(1-benzylpiperidin-1-ium-4-yl)carbamoyl]cyclohexyl]methyl]carbamic acid tert-butyl ester Formula: C25H40N3O3+ MolecularWeight: 430.6034

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCC1CCC(CC1)C(=O)NC2CC[NH+](CC2)CC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)OC(=O)NCC1CCC(CC1)C(=O)NC2CC[NH+](CC2)CC3=CC=CC=C3

InChI

InChI=1S/C25H39N3O3/c1-25(2,3)31-24(30)26-17-19-9-11-21(12-10-19)23(29)27-22-13-15-28(16-14-22)18-20-7-5-4-6-8-20/h4-8,19,21-22H,9-18H2,1-3H3,(H,26,30)(H,27,29)/p+1