3-(1,3-benzothiazol-2-yl)-N-[1-(phenylmethyl)piperidin-1-ium-4-yl]pyrazine-2-carboxamide

Systemtic Name: 3-(1,3-benzothiazol-2-yl)-N-[1-(phenylmethyl)piperidin-1-ium-4-yl]pyrazine-2-carboxamide Openeye Name: 3-(1,3-benzothiazol-2-yl)-N-(1-benzylpiperidin-1-ium-4-yl)pyrazine-2-carboxamide CAS Name: 3-(1,3-benzothiazol-2-yl)-N-[1-(phenylmethyl)-4-piperidin-1-iumyl]-2-pyrazinecarboxamide IUPAC Name: 3-(1,3-benzothiazol-2-yl)-N-(1-benzylpiperidin-1-ium-4-yl)pyrazine-2-carboxamide Traditional Name: 3-(1,3-benzothiazol-2-yl)-N-(1-benzylpiperidin-1-ium-4-yl)pyrazinamide Formula: C24H24N5OS+ MolecularWeight: 430.54526

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1NC(=O)C2=NC=CN=C2C3=NC4=CC=CC=C4S3)CC5=CC=CC=C5

Isomeric SMILES

C1C[NH+](CCC1NC(=O)C2=NC=CN=C2C3=NC4=CC=CC=C4S3)CC5=CC=CC=C5

InChI

InChI=1S/C24H23N5OS/c30-23(27-18-10-14-29(15-11-18)16-17-6-2-1-3-7-17)21-22(26-13-12-25-21)24-28-19-8-4-5-9-20(19)31-24/h1-9,12-13,18H,10-11,14-16H2,(H,27,30)/p+1