2-methyl-N-[(3S)-1-(1-methylpiperidin-1-ium-4-yl)piperidin-1-ium-3-yl]-1-benzofuran-5-carboxamide

Systemtic Name: 2-methyl-N-[(3S)-1-(1-methylpiperidin-1-ium-4-yl)piperidin-1-ium-3-yl]-1-benzofuran-5-carboxamide Openeye Name: 2-methyl-N-[(3S)-1-(1-methylpiperidin-1-ium-4-yl)piperidin-1-ium-3-yl]benzofuran-5-carboxamide CAS Name: 2-methyl-N-[(3S)-1-(1-methyl-4-piperidin-1-iumyl)-3-piperidin-1-iumyl]-5-benzofurancarboxamide IUPAC Name: 2-methyl-N-[(3S)-1-(1-methylpiperidin-1-ium-4-yl)piperidin-1-ium-3-yl]-1-benzofuran-5-carboxamide Traditional Name: 2-methyl-N-[(3S)-1-(1-methylpiperidin-1-ium-4-yl)piperidin-1-ium-3-yl]benzofuran-5-carboxamide Formula: C21H31N3O2+2 MolecularWeight: 357.48974

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(O1)C=CC(=C2)C(=O)NC3CCC[NH+](C3)C4CC[NH+](CC4)C

Isomeric SMILES

CC1=CC2=C(O1)C=CC(=C2)C(=O)N[C@H]3CCC[NH+](C3)C4CC[NH+](CC4)C

InChI

InChI=1S/C21H29N3O2/c1-15-12-17-13-16(5-6-20(17)26-15)21(25)22-18-4-3-9-24(14-18)19-7-10-23(2)11-8-19/h5-6,12-13,18-19H,3-4,7-11,14H2,1-2H3,(H,22,25)/p+2/t18-/m0/s1