2-(1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ium-4-ylpropyl)pyridine-3-carboxamide

Systemtic Name: 2-(1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ium-4-ylpropyl)pyridine-3-carboxamide Openeye Name: 2-(1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ium-4-ylpropyl)pyridine-3-carboxamide CAS Name: 2-(1,3-benzothiazol-2-yl)-N-[3-(4-morpholin-4-iumyl)propyl]-3-pyridinecarboxamide IUPAC Name: 2-(1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ium-4-ylpropyl)pyridine-3-carboxamide Traditional Name: 2-(1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ium-4-ylpropyl)nicotinamide Formula: C20H23N4O2S+ MolecularWeight: 383.48722

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCCNC(=O)C2=C(N=CC=C2)C3=NC4=CC=CC=C4S3

Isomeric SMILES

C1COCC[NH+]1CCCNC(=O)C2=C(N=CC=C2)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C20H22N4O2S/c25-19(22-9-4-10-24-11-13-26-14-12-24)15-5-3-8-21-18(15)20-23-16-6-1-2-7-17(16)27-20/h1-3,5-8H,4,9-14H2,(H,22,25)/p+1