2-(4-methyl-1,3-thiazol-5-yl)ethyl 3-nitro-4-piperidin-1-yl-benzoate hydrochloride

Systemtic Name: 2-(4-methyl-1,3-thiazol-5-yl)ethyl 3-nitro-4-piperidin-1-yl-benzoate hydrochloride Openeye Name: 2-(4-methylthiazol-5-yl)ethyl 3-nitro-4-(1-piperidyl)benzoate hydrochloride CAS Name: 3-nitro-4-(1-piperidinyl)benzoic acid 2-(4-methyl-5-thiazolyl)ethyl ester hydrochloride IUPAC Name: 2-(4-methyl-1,3-thiazol-5-yl)ethyl 3-nitro-4-piperidin-1-ylbenzoate hydrochloride Traditional Name: 3-nitro-4-piperidino-benzoic acid 2-(4-methylthiazol-5-yl)ethyl ester hydrochloride Formula: C18H22ClN3O4S MolecularWeight: 411.90298

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=N1)CCOC(=O)C2=CC(=C(C=C2)N3CCCCC3)[N+](=O)[O-].Cl

Isomeric SMILES

CC1=C(SC=N1)CCOC(=O)C2=CC(=C(C=C2)N3CCCCC3)[N+](=O)[O-].Cl

InChI

InChI=1S/C18H21N3O4S.ClH/c1-13-17(26-12-19-13)7-10-25-18(22)14-5-6-15(16(11-14)21(23)24)20-8-3-2-4-9-20;/h5-6,11-12H,2-4,7-10H2,1H3;1H