N-(1-cyanocycloheptyl)-2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylcarbonyl)piperidin-1-ium-1-yl]ethanamide

Systemtic Name: N-(1-cyanocycloheptyl)-2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylcarbonyl)piperidin-1-ium-1-yl]ethanamide Openeye Name: N-(1-cyanocycloheptyl)-2-[4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)piperidin-1-ium-1-yl]acetamide CAS Name: N-(1-cyanocycloheptyl)-2-[4-[2,3-dihydro-1,4-benzodioxin-6-yl(oxo)methyl]-1-piperidin-1-iumyl]acetamide IUPAC Name: N-(1-cyanocycloheptyl)-2-[4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)piperidin-1-ium-1-yl]acetamide Traditional Name: N-(1-cyanocycloheptyl)-2-[4-(2,3-dihydro-1,4-benzodioxin-6-carbonyl)piperidin-1-ium-1-yl]acetamide Formula: C24H32N3O4+ MolecularWeight: 426.52858

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)(C#N)NC(=O)C[NH+]2CCC(CC2)C(=O)C3=CC4=C(C=C3)OCCO4

Isomeric SMILES

C1CCCC(CC1)(C#N)NC(=O)C[NH+]2CCC(CC2)C(=O)C3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C24H31N3O4/c25-17-24(9-3-1-2-4-10-24)26-22(28)16-27-11-7-18(8-12-27)23(29)19-5-6-20-21(15-19)31-14-13-30-20/h5-6,15,18H,1-4,7-14,16H2,(H,26,28)/p+1