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

Systemtic Name: 3-azanyl-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]pyrazine-2-carboxamide Openeye Name: 3-amino-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]pyrazine-2-carboxamide CAS Name: 3-amino-N-[[2-(1-pyrrolidin-1-iumylmethyl)phenyl]methyl]-2-pyrazinecarboxamide IUPAC Name: 3-amino-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]pyrazine-2-carboxamide Traditional Name: 3-amino-N-[2-(pyrrolidin-1-ium-1-ylmethyl)benzyl]pyrazinamide Formula: C17H22N5O+ MolecularWeight: 312.38948

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CC2=CC=CC=C2CNC(=O)C3=NC=CN=C3N

Isomeric SMILES

C1CC[NH+](C1)CC2=CC=CC=C2CNC(=O)C3=NC=CN=C3N

InChI

InChI=1S/C17H21N5O/c18-16-15(19-7-8-20-16)17(23)21-11-13-5-1-2-6-14(13)12-22-9-3-4-10-22/h1-2,5-8H,3-4,9-12H2,(H2,18,20)(H,21,23)/p+1