3-(1,3-benzothiazol-2-yl)-N-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]pyrazine-2-carboxamide

Systemtic Name: 3-(1,3-benzothiazol-2-yl)-N-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]pyrazine-2-carboxamide Openeye Name: 3-(1,3-benzothiazol-2-yl)-N-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]pyrazine-2-carboxamide CAS Name: 3-(1,3-benzothiazol-2-yl)-N-[[2-(1-piperidin-1-iumylmethyl)phenyl]methyl]-2-pyrazinecarboxamide IUPAC Name: 3-(1,3-benzothiazol-2-yl)-N-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]pyrazine-2-carboxamide Traditional Name: 3-(1,3-benzothiazol-2-yl)-N-[2-(piperidin-1-ium-1-ylmethyl)benzyl]pyrazinamide Formula: C25H26N5OS+ MolecularWeight: 444.57184

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC2=CC=CC=C2CNC(=O)C3=NC=CN=C3C4=NC5=CC=CC=C5S4

Isomeric SMILES

C1CC[NH+](CC1)CC2=CC=CC=C2CNC(=O)C3=NC=CN=C3C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C25H25N5OS/c31-24(28-16-18-8-2-3-9-19(18)17-30-14-6-1-7-15-30)22-23(27-13-12-26-22)25-29-20-10-4-5-11-21(20)32-25/h2-5,8-13H,1,6-7,14-17H2,(H,28,31)/p+1