N-ethyl-N-[[(3R)-1-[2-(3-methoxyphenyl)ethyl]piperidin-1-ium-3-yl]methyl]-5-methyl-pyrazine-2-carboxamide

Systemtic Name: N-ethyl-N-[[(3R)-1-[2-(3-methoxyphenyl)ethyl]piperidin-1-ium-3-yl]methyl]-5-methyl-pyrazine-2-carboxamide Openeye Name: N-ethyl-N-[[(3R)-1-[2-(3-methoxyphenyl)ethyl]piperidin-1-ium-3-yl]methyl]-5-methyl-pyrazine-2-carboxamide CAS Name: N-ethyl-N-[[(3R)-1-[2-(3-methoxyphenyl)ethyl]-3-piperidin-1-iumyl]methyl]-5-methyl-2-pyrazinecarboxamide IUPAC Name: N-ethyl-N-[[(3R)-1-[2-(3-methoxyphenyl)ethyl]piperidin-1-ium-3-yl]methyl]-5-methylpyrazine-2-carboxamide Traditional Name: N-ethyl-N-[[(3R)-1-[2-(3-methoxyphenyl)ethyl]piperidin-1-ium-3-yl]methyl]-5-methyl-pyrazinamide Formula: C23H33N4O2+ MolecularWeight: 397.53372

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1CCC[NH+](C1)CCC2=CC(=CC=C2)OC)C(=O)C3=CN=C(C=N3)C

Isomeric SMILES

CCN(C[C@H]1CCC[NH+](C1)CCC2=CC(=CC=C2)OC)C(=O)C3=CN=C(C=N3)C

InChI

InChI=1S/C23H32N4O2/c1-4-27(23(28)22-15-24-18(2)14-25-22)17-20-8-6-11-26(16-20)12-10-19-7-5-9-21(13-19)29-3/h5,7,9,13-15,20H,4,6,8,10-12,16-17H2,1-3H3/p+1/t20-/m0/s1