(3S)-1-methyl-N-[[(2S)-5-methyl-7-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]piperidin-1-ium-3-carboxamide

Systemtic Name: (3S)-1-methyl-N-[[(2S)-5-methyl-7-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]piperidin-1-ium-3-carboxamide Openeye Name: (3S)-1-methyl-N-[[(2S)-5-methyl-7-pyrazin-2-yl-2,3-dihydrobenzofuran-2-yl]methyl]piperidin-1-ium-3-carboxamide CAS Name: (3S)-1-methyl-N-[[(2S)-5-methyl-7-(2-pyrazinyl)-2,3-dihydrobenzofuran-2-yl]methyl]-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-1-methyl-N-[[(2S)-5-methyl-7-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]piperidin-1-ium-3-carboxamide Traditional Name: (3S)-1-methyl-N-[[(2S)-5-methyl-7-pyrazin-2-yl-coumaran-2-yl]methyl]piperidin-1-ium-3-carboxamide Formula: C21H27N4O2+ MolecularWeight: 367.46468

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C(=C1)C3=NC=CN=C3)OC(C2)CNC(=O)C4CCC[NH+](C4)C

Isomeric SMILES

CC1=CC2=C(C(=C1)C3=NC=CN=C3)O[C@@H](C2)CNC(=O)[C@H]4CCC[NH+](C4)C

InChI

InChI=1S/C21H26N4O2/c1-14-8-16-10-17(11-24-21(26)15-4-3-7-25(2)13-15)27-20(16)18(9-14)19-12-22-5-6-23-19/h5-6,8-9,12,15,17H,3-4,7,10-11,13H2,1-2H3,(H,24,26)/p+1/t15-,17-/m0/s1