dimethyl-[2-[3-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-1-ium-4-yl]propanoylamino]ethyl]azanium

Systemtic Name: dimethyl-[2-[3-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-1-ium-4-yl]propanoylamino]ethyl]azanium Openeye Name: dimethyl-[2-[3-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-1-ium-4-yl]propanoylamino]ethyl]ammonium CAS Name: dimethyl-[2-[[3-[1-[(1-methyl-4-pyrazolyl)methyl]-4-piperidin-1-iumyl]-1-oxopropyl]amino]ethyl]ammonium IUPAC Name: dimethyl-[2-[3-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-1-ium-4-yl]propanoylamino]ethyl]azanium Traditional Name: dimethyl-[2-[3-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-1-ium-4-yl]propanoylamino]ethyl]ammonium Formula: C17H33N5O+2 MolecularWeight: 323.47682

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=N1)C[NH+]2CCC(CC2)CCC(=O)NCC[NH+](C)C

Isomeric SMILES

CN1C=C(C=N1)C[NH+]2CCC(CC2)CCC(=O)NCC[NH+](C)C

InChI

InChI=1S/C17H31N5O/c1-20(2)11-8-18-17(23)5-4-15-6-9-22(10-7-15)14-16-12-19-21(3)13-16/h12-13,15H,4-11,14H2,1-3H3,(H,18,23)/p+2