ethyl 1-[(1-phenethyl-1,2,3,4-tetrazol-5-yl)methyl]piperidin-1-ium-4-carboxylate

Systemtic Name: ethyl 1-[(1-phenethyl-1,2,3,4-tetrazol-5-yl)methyl]piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-[(1-phenethyltetrazol-5-yl)methyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[(1-phenethyl-5-tetrazolyl)methyl]-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(1-phenethyltetrazol-5-yl)methyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[(1-phenethyltetrazol-5-yl)methyl]piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C18H26N5O2+ MolecularWeight: 344.43134

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC[NH+](CC1)CC2=NN=NN2CCC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1CC[NH+](CC1)CC2=NN=NN2CCC3=CC=CC=C3

InChI

InChI=1S/C18H25N5O2/c1-2-25-18(24)16-9-11-22(12-10-16)14-17-19-20-21-23(17)13-8-15-6-4-3-5-7-15/h3-7,16H,2,8-14H2,1H3/p+1