N-[(1-methylimidazol-2-yl)methyl]-N-(2-morpholin-4-ium-4-ylethyl)-1,3-benzothiazole-6-carboxamide

Systemtic Name: N-[(1-methylimidazol-2-yl)methyl]-N-(2-morpholin-4-ium-4-ylethyl)-1,3-benzothiazole-6-carboxamide Openeye Name: N-[(1-methylimidazol-2-yl)methyl]-N-(2-morpholin-4-ium-4-ylethyl)-1,3-benzothiazole-6-carboxamide CAS Name: N-[(1-methyl-2-imidazolyl)methyl]-N-[2-(4-morpholin-4-iumyl)ethyl]-1,3-benzothiazole-6-carboxamide IUPAC Name: N-[(1-methylimidazol-2-yl)methyl]-N-(2-morpholin-4-ium-4-ylethyl)-1,3-benzothiazole-6-carboxamide Traditional Name: N-[(1-methylimidazol-2-yl)methyl]-N-(2-morpholin-4-ium-4-ylethyl)-1,3-benzothiazole-6-carboxamide Formula: C19H24N5O2S+ MolecularWeight: 386.49116

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=C1CN(CC[NH+]2CCOCC2)C(=O)C3=CC4=C(C=C3)N=CS4

Isomeric SMILES

CN1C=CN=C1CN(CC[NH+]2CCOCC2)C(=O)C3=CC4=C(C=C3)N=CS4

InChI

InChI=1S/C19H23N5O2S/c1-22-5-4-20-18(22)13-24(7-6-23-8-10-26-11-9-23)19(25)15-2-3-16-17(12-15)27-14-21-16/h2-5,12,14H,6-11,13H2,1H3/p+1