[2-(1-adamantylamino)-2-oxidanylidene-ethyl]-methyl-(1-methylpiperidin-1-ium-4-yl)azanium

Systemtic Name: [2-(1-adamantylamino)-2-oxidanylidene-ethyl]-methyl-(1-methylpiperidin-1-ium-4-yl)azanium Openeye Name: [2-(1-adamantylamino)-2-oxo-ethyl]-methyl-(1-methylpiperidin-1-ium-4-yl)ammonium CAS Name: [2-(1-adamantylamino)-2-oxoethyl]-methyl-(1-methyl-4-piperidin-1-iumyl)ammonium IUPAC Name: [2-(1-adamantylamino)-2-oxoethyl]-methyl-(1-methylpiperidin-1-ium-4-yl)azanium Traditional Name: [2-(1-adamantylamino)-2-keto-ethyl]-methyl-(1-methylpiperidin-1-ium-4-yl)ammonium Formula: C19H35N3O+2 MolecularWeight: 321.5007

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC(CC1)[NH+](C)CC(=O)NC23CC4CC(C2)CC(C4)C3

Isomeric SMILES

C[NH+]1CCC(CC1)[NH+](C)CC(=O)NC23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C19H33N3O/c1-21-5-3-17(4-6-21)22(2)13-18(23)20-19-10-14-7-15(11-19)9-16(8-14)12-19/h14-17H,3-13H2,1-2H3,(H,20,23)/p+2