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

Systemtic Name: 3-(1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ium-4-ylpropyl)pyrazine-2-carboxamide Openeye Name: 3-(1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ium-4-ylpropyl)pyrazine-2-carboxamide CAS Name: 3-(1,3-benzothiazol-2-yl)-N-[3-(4-morpholin-4-iumyl)propyl]-2-pyrazinecarboxamide IUPAC Name: 3-(1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ium-4-ylpropyl)pyrazine-2-carboxamide Traditional Name: 3-(1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ium-4-ylpropyl)pyrazinamide Formula: C19H22N5O2S+ MolecularWeight: 384.47528

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCCNC(=O)C2=NC=CN=C2C3=NC4=CC=CC=C4S3

Isomeric SMILES

C1COCC[NH+]1CCCNC(=O)C2=NC=CN=C2C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C19H21N5O2S/c25-18(22-6-3-9-24-10-12-26-13-11-24)16-17(21-8-7-20-16)19-23-14-4-1-2-5-15(14)27-19/h1-2,4-5,7-8H,3,6,9-13H2,(H,22,25)/p+1