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

Systemtic Name: N-(2-morpholin-4-ium-4-ylethyl)-2-pyrrol-1-yl-1,3-benzothiazole-6-carboxamide Openeye Name: N-(2-morpholin-4-ium-4-ylethyl)-2-pyrrol-1-yl-1,3-benzothiazole-6-carboxamide CAS Name: N-[2-(4-morpholin-4-iumyl)ethyl]-2-(1-pyrrolyl)-1,3-benzothiazole-6-carboxamide IUPAC Name: N-(2-morpholin-4-ium-4-ylethyl)-2-pyrrol-1-yl-1,3-benzothiazole-6-carboxamide Traditional Name: N-(2-morpholin-4-ium-4-ylethyl)-2-pyrrol-1-yl-1,3-benzothiazole-6-carboxamide Formula: C18H21N4O2S+ MolecularWeight: 357.44994

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20N4O2S/c23-17(19-5-8-21-9-11-24-12-10-21)14-3-4-15-16(13-14)25-18(20-15)22-6-1-2-7-22/h1-4,6-7,13H,5,8-12H2,(H,19,23)/p+1