3,6-dimethyl-N-[(3S)-1-(1-methylpiperidin-1-ium-4-yl)piperidin-3-yl]-1-benzofuran-2-carboxamide

Systemtic Name: 3,6-dimethyl-N-[(3S)-1-(1-methylpiperidin-1-ium-4-yl)piperidin-3-yl]-1-benzofuran-2-carboxamide Openeye Name: 3,6-dimethyl-N-[(3S)-1-(1-methylpiperidin-1-ium-4-yl)-3-piperidyl]benzofuran-2-carboxamide CAS Name: 3,6-dimethyl-N-[(3S)-1-(1-methyl-4-piperidin-1-iumyl)-3-piperidinyl]-2-benzofurancarboxamide IUPAC Name: 3,6-dimethyl-N-[(3S)-1-(1-methylpiperidin-1-ium-4-yl)piperidin-3-yl]-1-benzofuran-2-carboxamide Traditional Name: 3,6-dimethyl-N-[(3S)-1-(1-methylpiperidin-1-ium-4-yl)-3-piperidyl]coumarilamide Formula: C22H32N3O2+ MolecularWeight: 370.50838

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=C(O2)C(=O)NC3CCCN(C3)C4CC[NH+](CC4)C)C

Isomeric SMILES

CC1=CC2=C(C=C1)C(=C(O2)C(=O)N[C@H]3CCCN(C3)C4CC[NH+](CC4)C)C

InChI

InChI=1S/C22H31N3O2/c1-15-6-7-19-16(2)21(27-20(19)13-15)22(26)23-17-5-4-10-25(14-17)18-8-11-24(3)12-9-18/h6-7,13,17-18H,4-5,8-12,14H2,1-3H3,(H,23,26)/p+1/t17-/m0/s1