1-[(3,5-dimethyl-1-benzofuran-2-yl)carbonyl]-4-piperidin-1-ium-1-yl-piperidine-4-carboxamide

Systemtic Name: 1-[(3,5-dimethyl-1-benzofuran-2-yl)carbonyl]-4-piperidin-1-ium-1-yl-piperidine-4-carboxamide Openeye Name: 1-(3,5-dimethylbenzofuran-2-carbonyl)-4-piperidin-1-ium-1-yl-piperidine-4-carboxamide CAS Name: 1-[(3,5-dimethyl-2-benzofuranyl)-oxomethyl]-4-(1-piperidin-1-iumyl)-4-piperidinecarboxamide IUPAC Name: 1-(3,5-dimethyl-1-benzofuran-2-carbonyl)-4-piperidin-1-ium-1-ylpiperidine-4-carboxamide Traditional Name: 1-(3,5-dimethylbenzofuran-2-carbonyl)-4-piperidin-1-ium-1-yl-isonipecotamide Formula: C22H30N3O3+ MolecularWeight: 384.4919

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)OC(=C2C)C(=O)N3CCC(CC3)(C(=O)N)[NH+]4CCCCC4

Isomeric SMILES

CC1=CC2=C(C=C1)OC(=C2C)C(=O)N3CCC(CC3)(C(=O)N)[NH+]4CCCCC4

InChI

InChI=1S/C22H29N3O3/c1-15-6-7-18-17(14-15)16(2)19(28-18)20(26)24-12-8-22(9-13-24,21(23)27)25-10-4-3-5-11-25/h6-7,14H,3-5,8-13H2,1-2H3,(H2,23,27)/p+1