N-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-propyl]-2-(4-piperidin-1-ylcarbonylpiperidin-1-ium-1-yl)ethanamide

Systemtic Name: N-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-propyl]-2-(4-piperidin-1-ylcarbonylpiperidin-1-ium-1-yl)ethanamide Openeye Name: N-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-propyl]-2-[4-(piperidine-1-carbonyl)piperidin-1-ium-1-yl]acetamide CAS Name: N-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]-2-[4-[oxo(1-piperidinyl)methyl]-1-piperidin-1-iumyl]acetamide IUPAC Name: N-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]-2-[4-(piperidine-1-carbonyl)piperidin-1-ium-1-yl]acetamide Traditional Name: N-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-propyl]-2-[4-(piperidine-1-carbonyl)piperidin-1-ium-1-yl]acetamide Formula: C25H38N3O4+ MolecularWeight: 444.58692

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C1=CC2=C(C=C1)OCCO2)NC(=O)C[NH+]3CCC(CC3)C(=O)N4CCCCC4

Isomeric SMILES

CC(C)[C@@H](C1=CC2=C(C=C1)OCCO2)NC(=O)C[NH+]3CCC(CC3)C(=O)N4CCCCC4

InChI

InChI=1S/C25H37N3O4/c1-18(2)24(20-6-7-21-22(16-20)32-15-14-31-21)26-23(29)17-27-12-8-19(9-13-27)25(30)28-10-4-3-5-11-28/h6-7,16,18-19,24H,3-5,8-15,17H2,1-2H3,(H,26,29)/p+1/t24-/m0/s1