1,3-benzothiazol-2-ylmethyl-[(3-methoxycarbonyl-4-methyl-quinolin-2-yl)methyl]-methyl-azanium

Systemtic Name: 1,3-benzothiazol-2-ylmethyl-[(3-methoxycarbonyl-4-methyl-quinolin-2-yl)methyl]-methyl-azanium Openeye Name: 1,3-benzothiazol-2-ylmethyl-[(3-methoxycarbonyl-4-methyl-2-quinolyl)methyl]-methyl-ammonium CAS Name: 1,3-benzothiazol-2-ylmethyl-[(3-methoxycarbonyl-4-methyl-2-quinolinyl)methyl]-methylammonium IUPAC Name: 1,3-benzothiazol-2-ylmethyl-[(3-methoxycarbonyl-4-methylquinolin-2-yl)methyl]-methylazanium Traditional Name: 1,3-benzothiazol-2-ylmethyl-[(3-carbomethoxy-4-methyl-2-quinolyl)methyl]-methyl-ammonium Formula: C22H22N3O2S+ MolecularWeight: 392.49398

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC2=CC=CC=C12)C[NH+](C)CC3=NC4=CC=CC=C4S3)C(=O)OC

Isomeric SMILES

CC1=C(C(=NC2=CC=CC=C12)C[NH+](C)CC3=NC4=CC=CC=C4S3)C(=O)OC

InChI

InChI=1S/C22H21N3O2S/c1-14-15-8-4-5-9-16(15)23-18(21(14)22(26)27-3)12-25(2)13-20-24-17-10-6-7-11-19(17)28-20/h4-11H,12-13H2,1-3H3/p+1