3-(benzimidazol-1-yl)propyl-[[2,5-dimethyl-1-(2-propan-2-ylpyrazol-3-yl)pyrrol-3-yl]methyl]azanium

Systemtic Name: 3-(benzimidazol-1-yl)propyl-[[2,5-dimethyl-1-(2-propan-2-ylpyrazol-3-yl)pyrrol-3-yl]methyl]azanium Openeye Name: 3-(benzimidazol-1-yl)propyl-[[1-(2-isopropylpyrazol-3-yl)-2,5-dimethyl-pyrrol-3-yl]methyl]ammonium CAS Name: 3-(1-benzimidazolyl)propyl-[[2,5-dimethyl-1-(2-propan-2-yl-3-pyrazolyl)-3-pyrrolyl]methyl]ammonium IUPAC Name: 3-(benzimidazol-1-yl)propyl-[[2,5-dimethyl-1-(2-propan-2-ylpyrazol-3-yl)pyrrol-3-yl]methyl]azanium Traditional Name: 3-(benzimidazol-1-yl)propyl-[[1-(2-isopropylpyrazol-3-yl)-2,5-dimethyl-pyrrol-3-yl]methyl]ammonium Formula: C23H31N6+ MolecularWeight: 391.53244

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=NN2C(C)C)C)C[NH2+]CCCN3C=NC4=CC=CC=C43

Isomeric SMILES

CC1=CC(=C(N1C2=CC=NN2C(C)C)C)C[NH2+]CCCN3C=NC4=CC=CC=C43

InChI

InChI=1S/C23H30N6/c1-17(2)29-23(10-12-26-29)28-18(3)14-20(19(28)4)15-24-11-7-13-27-16-25-21-8-5-6-9-22(21)27/h5-6,8-10,12,14,16-17,24H,7,11,13,15H2,1-4H3/p+1