N-[(2R)-2-(3-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]pyrazine-2-carboxamide

Systemtic Name: N-[(2R)-2-(3-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]pyrazine-2-carboxamide Openeye Name: N-[(2R)-2-(3-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]pyrazine-2-carboxamide CAS Name: N-[(2R)-2-(3-methoxyphenyl)-2-(1-pyrrolidin-1-iumyl)ethyl]-2-pyrazinecarboxamide IUPAC Name: N-[(2R)-2-(3-methoxyphenyl)-2-pyrrolidin-1-ium-1-ylethyl]pyrazine-2-carboxamide Traditional Name: N-[(2R)-2-(3-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]pyrazinamide Formula: C18H23N4O2+ MolecularWeight: 327.40082

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C(CNC(=O)C2=NC=CN=C2)[NH+]3CCCC3

Isomeric SMILES

COC1=CC=CC(=C1)[C@H](CNC(=O)C2=NC=CN=C2)[NH+]3CCCC3

InChI

InChI=1S/C18H22N4O2/c1-24-15-6-4-5-14(11-15)17(22-9-2-3-10-22)13-21-18(23)16-12-19-7-8-20-16/h4-8,11-12,17H,2-3,9-10,13H2,1H3,(H,21,23)/p+1/t17-/m0/s1