ethyl 4-(phenylmethyl)-1-[[1-(1,3-thiazol-2-yl)pyrrol-2-yl]methyl]piperidin-1-ium-4-carboxylate

Systemtic Name: ethyl 4-(phenylmethyl)-1-[[1-(1,3-thiazol-2-yl)pyrrol-2-yl]methyl]piperidin-1-ium-4-carboxylate Openeye Name: ethyl 4-benzyl-1-[(1-thiazol-2-ylpyrrol-2-yl)methyl]piperidin-1-ium-4-carboxylate CAS Name: 4-(phenylmethyl)-1-[[1-(2-thiazolyl)-2-pyrrolyl]methyl]-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-benzyl-1-[[1-(1,3-thiazol-2-yl)pyrrol-2-yl]methyl]piperidin-1-ium-4-carboxylate Traditional Name: 4-benzyl-1-[(1-thiazol-2-ylpyrrol-2-yl)methyl]piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C23H28N3O2S+ MolecularWeight: 410.55232

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CC[NH+](CC1)CC2=CC=CN2C3=NC=CS3)CC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1(CC[NH+](CC1)CC2=CC=CN2C3=NC=CS3)CC4=CC=CC=C4

InChI

InChI=1S/C23H27N3O2S/c1-2-28-21(27)23(17-19-7-4-3-5-8-19)10-14-25(15-11-23)18-20-9-6-13-26(20)22-24-12-16-29-22/h3-9,12-13,16H,2,10-11,14-15,17-18H2,1H3/p+1