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

Systemtic Name: N-tert-butyl-2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylcarbonyl)piperidin-1-ium-1-yl]-N-(phenylmethyl)ethanamide Openeye Name: N-benzyl-N-tert-butyl-2-[4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)piperidin-1-ium-1-yl]acetamide CAS Name: N-tert-butyl-2-[4-[2,3-dihydro-1,4-benzodioxin-6-yl(oxo)methyl]-1-piperidin-1-iumyl]-N-(phenylmethyl)acetamide IUPAC Name: N-benzyl-N-tert-butyl-2-[4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)piperidin-1-ium-1-yl]acetamide Traditional Name: N-benzyl-N-tert-butyl-2-[4-(2,3-dihydro-1,4-benzodioxin-6-carbonyl)piperidin-1-ium-1-yl]acetamide Formula: C27H35N2O4+ MolecularWeight: 451.5778

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N(CC1=CC=CC=C1)C(=O)C[NH+]2CCC(CC2)C(=O)C3=CC4=C(C=C3)OCCO4

Isomeric SMILES

CC(C)(C)N(CC1=CC=CC=C1)C(=O)C[NH+]2CCC(CC2)C(=O)C3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C27H34N2O4/c1-27(2,3)29(18-20-7-5-4-6-8-20)25(30)19-28-13-11-21(12-14-28)26(31)22-9-10-23-24(17-22)33-16-15-32-23/h4-10,17,21H,11-16,18-19H2,1-3H3/p+1