1-(1H-imidazol-5-yl)pentyl 2-azanyl-4-methyl-1-oxidanylidene-5-(triphenylmethyl)piperidin-1-ium-2-carboxylate

Systemtic Name: 1-(1H-imidazol-5-yl)pentyl 2-azanyl-4-methyl-1-oxidanylidene-5-(triphenylmethyl)piperidin-1-ium-2-carboxylate Openeye Name: 1-(1H-imidazol-5-yl)pentyl 2-amino-4-methyl-1-oxo-5-trityl-piperidin-1-ium-2-carboxylate CAS Name: 2-amino-4-methyl-1-oxo-5-(triphenylmethyl)-2-piperidin-1-iumcarboxylic acid 1-(1H-imidazol-5-yl)pentyl ester IUPAC Name: 1-(1H-imidazol-5-yl)pentyl 2-amino-4-methyl-1-oxo-5-tritylpiperidin-1-ium-2-carboxylate Traditional Name: 2-amino-1-keto-4-methyl-5-trityl-piperidin-1-ium-2-carboxylic acid 1-(1H-imidazol-5-yl)pentyl ester Formula: C34H39N4O3+ MolecularWeight: 551.69846

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C1=CN=CN1)OC(=O)C2(CC(C(C[N+]2=O)C(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)C)N

Isomeric SMILES

CCCCC(C1=CN=CN1)OC(=O)C2(CC(C(C[N+]2=O)C(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)C)N

InChI

InChI=1S/C34H39N4O3/c1-3-4-20-31(30-22-36-24-37-30)41-32(39)33(35)21-25(2)29(23-38(33)40)34(26-14-8-5-9-15-26,27-16-10-6-11-17-27)28-18-12-7-13-19-28/h5-19,22,24-25,29,31H,3-4,20-21,23,35H2,1-2H3,(H,36,37)/q+1