methyl 2-[[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-ium-1-yl]methyl]-4-methyl-quinoline-3-carboxylate

Systemtic Name: methyl 2-[[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-ium-1-yl]methyl]-4-methyl-quinoline-3-carboxylate Openeye Name: methyl 2-[[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-ium-1-yl]methyl]-4-methyl-quinoline-3-carboxylate CAS Name: 2-[[(2R)-2-(1,3-benzothiazol-2-yl)-1-pyrrolidin-1-iumyl]methyl]-4-methyl-3-quinolinecarboxylic acid methyl ester IUPAC Name: methyl 2-[[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-ium-1-yl]methyl]-4-methylquinoline-3-carboxylate Traditional Name: 2-[[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-ium-1-yl]methyl]-4-methyl-quinoline-3-carboxylic acid methyl ester Formula: C24H24N3O2S+ MolecularWeight: 418.53126

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC2=CC=CC=C12)C[NH+]3CCCC3C4=NC5=CC=CC=C5S4)C(=O)OC

Isomeric SMILES

CC1=C(C(=NC2=CC=CC=C12)C[NH+]3CCC[C@@H]3C4=NC5=CC=CC=C5S4)C(=O)OC

InChI

InChI=1S/C24H23N3O2S/c1-15-16-8-3-4-9-17(16)25-19(22(15)24(28)29-2)14-27-13-7-11-20(27)23-26-18-10-5-6-12-21(18)30-23/h3-6,8-10,12,20H,7,11,13-14H2,1-2H3/p+1/t20-/m1/s1