2-[(2R)-1-(6-methoxy-2-methyl-quinolin-1-ium-4-yl)pyrrolidin-2-yl]-1,3-benzothiazole

Systemtic Name: 2-[(2R)-1-(6-methoxy-2-methyl-quinolin-1-ium-4-yl)pyrrolidin-2-yl]-1,3-benzothiazole Openeye Name: 2-[(2R)-1-(6-methoxy-2-methyl-quinolin-1-ium-4-yl)pyrrolidin-2-yl]-1,3-benzothiazole CAS Name: 2-[(2R)-1-(6-methoxy-2-methyl-4-quinolin-1-iumyl)-2-pyrrolidinyl]-1,3-benzothiazole IUPAC Name: 2-[(2R)-1-(6-methoxy-2-methylquinolin-1-ium-4-yl)pyrrolidin-2-yl]-1,3-benzothiazole Traditional Name: 2-[(2R)-1-(6-methoxy-2-methyl-quinolin-1-ium-4-yl)pyrrolidin-2-yl]-1,3-benzothiazole Formula: C22H22N3OS+ MolecularWeight: 376.49458

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[NH+]C2=C(C=C(C=C2)OC)C(=C1)N3CCCC3C4=NC5=CC=CC=C5S4

Isomeric SMILES

CC1=[NH+]C2=C(C=C(C=C2)OC)C(=C1)N3CCC[C@@H]3C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C22H21N3OS/c1-14-12-20(16-13-15(26-2)9-10-17(16)23-14)25-11-5-7-19(25)22-24-18-6-3-4-8-21(18)27-22/h3-4,6,8-10,12-13,19H,5,7,11H2,1-2H3/p+1/t19-/m1/s1