5-(benzimidazol-1-ylmethyl)-N-methyl-N-[[(3R)-1-propan-2-ylpyrrolidin-1-ium-3-yl]methyl]-1H-pyrazole-3-carboxamide

Systemtic Name: 5-(benzimidazol-1-ylmethyl)-N-methyl-N-[[(3R)-1-propan-2-ylpyrrolidin-1-ium-3-yl]methyl]-1H-pyrazole-3-carboxamide Openeye Name: 5-(benzimidazol-1-ylmethyl)-N-[[(3R)-1-isopropylpyrrolidin-1-ium-3-yl]methyl]-N-methyl-1H-pyrazole-3-carboxamide CAS Name: 5-(1-benzimidazolylmethyl)-N-methyl-N-[[(3R)-1-propan-2-yl-3-pyrrolidin-1-iumyl]methyl]-1H-pyrazole-3-carboxamide IUPAC Name: 5-(benzimidazol-1-ylmethyl)-N-methyl-N-[[(3R)-1-propan-2-ylpyrrolidin-1-ium-3-yl]methyl]-1H-pyrazole-3-carboxamide Traditional Name: 5-(benzimidazol-1-ylmethyl)-N-[[(3R)-1-isopropylpyrrolidin-1-ium-3-yl]methyl]-N-methyl-1H-pyrazole-3-carboxamide Formula: C21H29N6O+ MolecularWeight: 381.49456

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH+]1CCC(C1)CN(C)C(=O)C2=NNC(=C2)CN3C=NC4=CC=CC=C43

Isomeric SMILES

CC(C)[NH+]1CC[C@@H](C1)CN(C)C(=O)C2=NNC(=C2)CN3C=NC4=CC=CC=C43

InChI

InChI=1S/C21H28N6O/c1-15(2)26-9-8-16(12-26)11-25(3)21(28)19-10-17(23-24-19)13-27-14-22-18-6-4-5-7-20(18)27/h4-7,10,14-16H,8-9,11-13H2,1-3H3,(H,23,24)/p+1/t16-/m1/s1