3-(1,3-benzothiazol-2-yl)-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]pyrazine-2-carboxamide

Systemtic Name: 3-(1,3-benzothiazol-2-yl)-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]pyrazine-2-carboxamide Openeye Name: 3-(1,3-benzothiazol-2-yl)-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]pyrazine-2-carboxamide CAS Name: 3-(1,3-benzothiazol-2-yl)-N-[[4-(1-pyrrolidin-1-iumylmethyl)phenyl]methyl]-2-pyrazinecarboxamide IUPAC Name: 3-(1,3-benzothiazol-2-yl)-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]pyrazine-2-carboxamide Traditional Name: 3-(1,3-benzothiazol-2-yl)-N-[4-(pyrrolidin-1-ium-1-ylmethyl)benzyl]pyrazinamide Formula: C24H24N5OS+ MolecularWeight: 430.54526

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CC2=CC=C(C=C2)CNC(=O)C3=NC=CN=C3C4=NC5=CC=CC=C5S4

Isomeric SMILES

C1CC[NH+](C1)CC2=CC=C(C=C2)CNC(=O)C3=NC=CN=C3C4=NC5=CC=CC=C5S4

InChI

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