methyl 5-[2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]ethanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate

Systemtic Name: methyl 5-[2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]ethanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Openeye Name: methyl 5-[2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]acetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate CAS Name: 5-[2-[4-(1,3-benzothiazol-2-yl)-1-piperidin-1-iumyl]-1-oxoethyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid methyl ester IUPAC Name: methyl 5-[2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]acetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Traditional Name: 5-[2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]acetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid methyl ester Formula: C22H26N3O3S+ MolecularWeight: 412.52514

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)OC)C)C(=O)C[NH+]2CCC(CC2)C3=NC4=CC=CC=C4S3

Isomeric SMILES

CC1=C(NC(=C1C(=O)OC)C)C(=O)C[NH+]2CCC(CC2)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C22H25N3O3S/c1-13-19(22(27)28-3)14(2)23-20(13)17(26)12-25-10-8-15(9-11-25)21-24-16-6-4-5-7-18(16)29-21/h4-7,15,23H,8-12H2,1-3H3/p+1