tert-butyl 3-methyl-5-oxidanylidene-4-[(1-pyridin-4-ylpiperidin-1-ium-1-yl)amino]piperazine-1-carboxylate

Systemtic Name: tert-butyl 3-methyl-5-oxidanylidene-4-[(1-pyridin-4-ylpiperidin-1-ium-1-yl)amino]piperazine-1-carboxylate Openeye Name: tert-butyl 3-methyl-5-oxo-4-[[1-(4-pyridyl)piperidin-1-ium-1-yl]amino]piperazine-1-carboxylate CAS Name: 3-methyl-5-oxo-4-[(1-pyridin-4-yl-1-piperidin-1-iumyl)amino]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-methyl-5-oxo-4-[(1-pyridin-4-ylpiperidin-1-ium-1-yl)amino]piperazine-1-carboxylate Traditional Name: 3-keto-5-methyl-4-[[1-(4-pyridyl)piperidin-1-ium-1-yl]amino]piperazine-1-carboxylic acid tert-butyl ester Formula: C20H32N5O3+ MolecularWeight: 390.49978

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CC(=O)N1N[N+]2(CCCCC2)C3=CC=NC=C3)C(=O)OC(C)(C)C

Isomeric SMILES

CC1CN(CC(=O)N1N[N+]2(CCCCC2)C3=CC=NC=C3)C(=O)OC(C)(C)C

InChI

InChI=1S/C20H32N5O3/c1-16-14-23(19(27)28-20(2,3)4)15-18(26)24(16)22-25(12-6-5-7-13-25)17-8-10-21-11-9-17/h8-11,16,22H,5-7,12-15H2,1-4H3/q+1