[2-(dimethylamino)pyridin-1-ium-3-yl]methyl-(1-propan-2-ylpiperidin-1-ium-4-yl)azanium

Systemtic Name: [2-(dimethylamino)pyridin-1-ium-3-yl]methyl-(1-propan-2-ylpiperidin-1-ium-4-yl)azanium Openeye Name: [2-(dimethylamino)pyridin-1-ium-3-yl]methyl-(1-isopropylpiperidin-1-ium-4-yl)ammonium CAS Name: [2-(dimethylamino)-3-pyridin-1-iumyl]methyl-(1-propan-2-yl-4-piperidin-1-iumyl)ammonium IUPAC Name: [2-(dimethylamino)pyridin-1-ium-3-yl]methyl-(1-propan-2-ylpiperidin-1-ium-4-yl)azanium Traditional Name: [2-(dimethylamino)pyridin-1-ium-3-yl]methyl-(1-isopropylpiperidin-1-ium-4-yl)ammonium Formula: C16H31N4+3 MolecularWeight: 279.44414

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH+]1CCC(CC1)[NH2+]CC2=C([NH+]=CC=C2)N(C)C

Isomeric SMILES

CC(C)[NH+]1CCC(CC1)[NH2+]CC2=C([NH+]=CC=C2)N(C)C

InChI

InChI=1S/C16H28N4/c1-13(2)20-10-7-15(8-11-20)18-12-14-6-5-9-17-16(14)19(3)4/h5-6,9,13,15,18H,7-8,10-12H2,1-4H3/p+3