3-azanyl-N-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-yl-ethyl]pyrazine-2-carboxamide

Systemtic Name: 3-azanyl-N-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-yl-ethyl]pyrazine-2-carboxamide Openeye Name: 3-amino-N-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-yl-ethyl]pyrazine-2-carboxamide CAS Name: 3-amino-N-[(2R)-2-(4-methoxyphenyl)-2-(1-piperidin-1-iumyl)ethyl]-2-pyrazinecarboxamide IUPAC Name: 3-amino-N-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-ylethyl]pyrazine-2-carboxamide Traditional Name: 3-amino-N-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-yl-ethyl]pyrazinamide Formula: C19H26N5O2+ MolecularWeight: 356.44204

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(CNC(=O)C2=NC=CN=C2N)[NH+]3CCCCC3

Isomeric SMILES

COC1=CC=C(C=C1)[C@H](CNC(=O)C2=NC=CN=C2N)[NH+]3CCCCC3

InChI

InChI=1S/C19H25N5O2/c1-26-15-7-5-14(6-8-15)16(24-11-3-2-4-12-24)13-23-19(25)17-18(20)22-10-9-21-17/h5-10,16H,2-4,11-13H2,1H3,(H2,20,22)(H,23,25)/p+1/t16-/m0/s1