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

Systemtic Name: N-[[2-[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]phenyl]methyl]pyrazine-2-carboxamide Openeye Name: N-[[2-[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]phenyl]methyl]pyrazine-2-carboxamide CAS Name: N-[[2-[4-(1-pyrrolidin-1-iumylmethyl)phenyl]phenyl]methyl]-2-pyrazinecarboxamide IUPAC Name: N-[[2-[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]phenyl]methyl]pyrazine-2-carboxamide Traditional Name: N-[2-[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]benzyl]pyrazinamide Formula: C23H25N4O+ MolecularWeight: 373.4708

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CC2=CC=C(C=C2)C3=CC=CC=C3CNC(=O)C4=NC=CN=C4

Isomeric SMILES

C1CC[NH+](C1)CC2=CC=C(C=C2)C3=CC=CC=C3CNC(=O)C4=NC=CN=C4

InChI

InChI=1S/C23H24N4O/c28-23(22-16-24-11-12-25-22)26-15-20-5-1-2-6-21(20)19-9-7-18(8-10-19)17-27-13-3-4-14-27/h1-2,5-12,16H,3-4,13-15,17H2,(H,26,28)/p+1