N-(3-morpholin-4-ium-4-ylpropyl)-2-pyrrol-1-yl-1,3-benzothiazole-6-carboxamide

Systemtic Name: N-(3-morpholin-4-ium-4-ylpropyl)-2-pyrrol-1-yl-1,3-benzothiazole-6-carboxamide Openeye Name: N-(3-morpholin-4-ium-4-ylpropyl)-2-pyrrol-1-yl-1,3-benzothiazole-6-carboxamide CAS Name: N-[3-(4-morpholin-4-iumyl)propyl]-2-(1-pyrrolyl)-1,3-benzothiazole-6-carboxamide IUPAC Name: N-(3-morpholin-4-ium-4-ylpropyl)-2-pyrrol-1-yl-1,3-benzothiazole-6-carboxamide Traditional Name: N-(3-morpholin-4-ium-4-ylpropyl)-2-pyrrol-1-yl-1,3-benzothiazole-6-carboxamide Formula: C19H23N4O2S+ MolecularWeight: 371.47652

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCCNC(=O)C2=CC3=C(C=C2)N=C(S3)N4C=CC=C4

Isomeric SMILES

C1COCC[NH+]1CCCNC(=O)C2=CC3=C(C=C2)N=C(S3)N4C=CC=C4

InChI

InChI=1S/C19H22N4O2S/c24-18(20-6-3-7-22-10-12-25-13-11-22)15-4-5-16-17(14-15)26-19(21-16)23-8-1-2-9-23/h1-2,4-5,8-9,14H,3,6-7,10-13H2,(H,20,24)/p+1