2-methyl-1-[3-[4-(pyrazol-1-ylmethyl)piperidin-1-ium-1-yl]propyl]benzimidazole

Systemtic Name: 2-methyl-1-[3-[4-(pyrazol-1-ylmethyl)piperidin-1-ium-1-yl]propyl]benzimidazole Openeye Name: 2-methyl-1-[3-[4-(pyrazol-1-ylmethyl)piperidin-1-ium-1-yl]propyl]benzimidazole CAS Name: 2-methyl-1-[3-[4-(1-pyrazolylmethyl)-1-piperidin-1-iumyl]propyl]benzimidazole IUPAC Name: 2-methyl-1-[3-[4-(pyrazol-1-ylmethyl)piperidin-1-ium-1-yl]propyl]benzimidazole Traditional Name: 2-methyl-1-[3-[4-(pyrazol-1-ylmethyl)piperidin-1-ium-1-yl]propyl]benzimidazole Formula: C20H28N5+ MolecularWeight: 338.46982

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2N1CCC[NH+]3CCC(CC3)CN4C=CC=N4

Isomeric SMILES

CC1=NC2=CC=CC=C2N1CCC[NH+]3CCC(CC3)CN4C=CC=N4

InChI

InChI=1S/C20H27N5/c1-17-22-19-6-2-3-7-20(19)25(17)13-5-11-23-14-8-18(9-15-23)16-24-12-4-10-21-24/h2-4,6-7,10,12,18H,5,8-9,11,13-16H2,1H3/p+1