[1-(4-azaniumylpiperidin-1-yl)-2-methyl-1-oxidanylidene-propan-2-yl]-methyl-(2-pyridin-4-ylethyl)azanium

Systemtic Name: [1-(4-azaniumylpiperidin-1-yl)-2-methyl-1-oxidanylidene-propan-2-yl]-methyl-(2-pyridin-4-ylethyl)azanium Openeye Name: [2-(4-azaniumyl-1-piperidyl)-1,1-dimethyl-2-oxo-ethyl]-methyl-[2-(4-pyridyl)ethyl]ammonium CAS Name: [1-(4-ammonio-1-piperidinyl)-2-methyl-1-oxopropan-2-yl]-methyl-(2-pyridin-4-ylethyl)ammonium IUPAC Name: [1-(4-azaniumylpiperidin-1-yl)-2-methyl-1-oxopropan-2-yl]-methyl-(2-pyridin-4-ylethyl)azanium Traditional Name: [2-(4-ammoniopiperidino)-2-keto-1,1-dimethyl-ethyl]-methyl-[2-(4-pyridyl)ethyl]ammonium Formula: C17H30N4O+2 MolecularWeight: 306.4463

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)N1CCC(CC1)[NH3+])[NH+](C)CCC2=CC=NC=C2

Isomeric SMILES

CC(C)(C(=O)N1CCC(CC1)[NH3+])[NH+](C)CCC2=CC=NC=C2

InChI

InChI=1S/C17H28N4O/c1-17(2,16(22)21-12-7-15(18)8-13-21)20(3)11-6-14-4-9-19-10-5-14/h4-5,9-10,15H,6-8,11-13,18H2,1-3H3/p+2