3,7-dimethyl-N-[(3S)-1-methylpiperidin-1-ium-3-yl]-1-benzofuran-2-carboxamide

Systemtic Name: 3,7-dimethyl-N-[(3S)-1-methylpiperidin-1-ium-3-yl]-1-benzofuran-2-carboxamide Openeye Name: 3,7-dimethyl-N-[(3S)-1-methylpiperidin-1-ium-3-yl]benzofuran-2-carboxamide CAS Name: 3,7-dimethyl-N-[(3S)-1-methyl-3-piperidin-1-iumyl]-2-benzofurancarboxamide IUPAC Name: 3,7-dimethyl-N-[(3S)-1-methylpiperidin-1-ium-3-yl]-1-benzofuran-2-carboxamide Traditional Name: 3,7-dimethyl-N-[(3S)-1-methylpiperidin-1-ium-3-yl]coumarilamide Formula: C17H23N2O2+ MolecularWeight: 287.37672

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1OC(=C2C)C(=O)NC3CCC[NH+](C3)C

Isomeric SMILES

CC1=CC=CC2=C1OC(=C2C)C(=O)N[C@H]3CCC[NH+](C3)C

InChI

InChI=1S/C17H22N2O2/c1-11-6-4-8-14-12(2)16(21-15(11)14)17(20)18-13-7-5-9-19(3)10-13/h4,6,8,13H,5,7,9-10H2,1-3H3,(H,18,20)/p+1/t13-/m0/s1