tert-butyl 1-(aminomethyl)-6-butyl-2-oxidanylidene-3-(phenylmethyl)pyridin-1-ium-1-carboxylate

Systemtic Name: tert-butyl 1-(aminomethyl)-6-butyl-2-oxidanylidene-3-(phenylmethyl)pyridin-1-ium-1-carboxylate Openeye Name: tert-butyl 1-(aminomethyl)-3-benzyl-6-butyl-2-oxo-pyridin-1-ium-1-carboxylate CAS Name: 1-(aminomethyl)-6-butyl-2-oxo-3-(phenylmethyl)-1-pyridin-1-iumcarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 1-(aminomethyl)-3-benzyl-6-butyl-2-oxopyridin-1-ium-1-carboxylate Traditional Name: 1-(aminomethyl)-3-benzyl-6-butyl-2-keto-pyridin-1-ium-1-carboxylic acid tert-butyl ester Formula: C22H31N2O3+ MolecularWeight: 371.49314

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C(=O)[N+]1(CN)C(=O)OC(C)(C)C)CC2=CC=CC=C2

Isomeric SMILES

CCCCC1=CC=C(C(=O)[N+]1(CN)C(=O)OC(C)(C)C)CC2=CC=CC=C2

InChI

InChI=1S/C22H31N2O3/c1-5-6-12-19-14-13-18(15-17-10-8-7-9-11-17)20(25)24(19,16-23)21(26)27-22(2,3)4/h7-11,13-14H,5-6,12,15-16,23H2,1-4H3/q+1