tert-butyl N-[[4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)carbonylcyclohexyl]methyl]carbamate

Systemtic Name: tert-butyl N-[[4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)carbonylcyclohexyl]methyl]carbamate Openeye Name: tert-butyl N-[[4-(4-pyridin-1-ium-2-ylpiperazine-1-carbonyl)cyclohexyl]methyl]carbamate CAS Name: N-[[4-[oxo-[4-(2-pyridin-1-iumyl)-1-piperazinyl]methyl]cyclohexyl]methyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[[4-(4-pyridin-1-ium-2-ylpiperazine-1-carbonyl)cyclohexyl]methyl]carbamate Traditional Name: N-[[4-(4-pyridin-1-ium-2-ylpiperazine-1-carbonyl)cyclohexyl]methyl]carbamic acid tert-butyl ester Formula: C22H35N4O3+ MolecularWeight: 403.5383

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCC1CCC(CC1)C(=O)N2CCN(CC2)C3=CC=CC=[NH+]3

Isomeric SMILES

CC(C)(C)OC(=O)NCC1CCC(CC1)C(=O)N2CCN(CC2)C3=CC=CC=[NH+]3

InChI

InChI=1S/C22H34N4O3/c1-22(2,3)29-21(28)24-16-17-7-9-18(10-8-17)20(27)26-14-12-25(13-15-26)19-6-4-5-11-23-19/h4-6,11,17-18H,7-10,12-16H2,1-3H3,(H,24,28)/p+1