(1-ethyl-3-methyl-pyrazol-4-yl)methyl-[[1-(1-methylpiperidin-1-ium-4-yl)piperidin-1-ium-4-yl]methyl]-(pyridin-4-ylmethyl)azanium

Systemtic Name: (1-ethyl-3-methyl-pyrazol-4-yl)methyl-[[1-(1-methylpiperidin-1-ium-4-yl)piperidin-1-ium-4-yl]methyl]-(pyridin-4-ylmethyl)azanium Openeye Name: (1-ethyl-3-methyl-pyrazol-4-yl)methyl-[[1-(1-methylpiperidin-1-ium-4-yl)piperidin-1-ium-4-yl]methyl]-(4-pyridylmethyl)ammonium CAS Name: (1-ethyl-3-methyl-4-pyrazolyl)methyl-[[1-(1-methyl-4-piperidin-1-iumyl)-4-piperidin-1-iumyl]methyl]-(pyridin-4-ylmethyl)ammonium IUPAC Name: (1-ethyl-3-methylpyrazol-4-yl)methyl-[[1-(1-methylpiperidin-1-ium-4-yl)piperidin-1-ium-4-yl]methyl]-(pyridin-4-ylmethyl)azanium Traditional Name: (1-ethyl-3-methyl-pyrazol-4-yl)methyl-[[1-(1-methylpiperidin-1-ium-4-yl)piperidin-1-ium-4-yl]methyl]-(4-pyridylmethyl)ammonium Formula: C25H43N6+3 MolecularWeight: 427.64912

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=N1)C)C[NH+](CC2CC[NH+](CC2)C3CC[NH+](CC3)C)CC4=CC=NC=C4

Isomeric SMILES

CCN1C=C(C(=N1)C)C[NH+](CC2CC[NH+](CC2)C3CC[NH+](CC3)C)CC4=CC=NC=C4

InChI

InChI=1S/C25H40N6/c1-4-31-20-24(21(2)27-31)19-29(17-22-5-11-26-12-6-22)18-23-7-15-30(16-8-23)25-9-13-28(3)14-10-25/h5-6,11-12,20,23,25H,4,7-10,13-19H2,1-3H3/p+3