2-(1H-indol-3-yl)ethyl-[[3-(4-methylphenyl)-1-phenyl-pyrazol-4-yl]methyl]azanium

Systemtic Name: 2-(1H-indol-3-yl)ethyl-[[3-(4-methylphenyl)-1-phenyl-pyrazol-4-yl]methyl]azanium Openeye Name: 2-(1H-indol-3-yl)ethyl-[[1-phenyl-3-(p-tolyl)pyrazol-4-yl]methyl]ammonium CAS Name: 2-(1H-indol-3-yl)ethyl-[[3-(4-methylphenyl)-1-phenyl-4-pyrazolyl]methyl]ammonium IUPAC Name: 2-(1H-indol-3-yl)ethyl-[[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]methyl]azanium Traditional Name: 2-(1H-indol-3-yl)ethyl-[[1-phenyl-3-(p-tolyl)pyrazol-4-yl]methyl]ammonium Formula: C27H27N4+ MolecularWeight: 407.53008

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN(C=C2C[NH2+]CCC3=CNC4=CC=CC=C43)C5=CC=CC=C5

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN(C=C2C[NH2+]CCC3=CNC4=CC=CC=C43)C5=CC=CC=C5

InChI

InChI=1S/C27H26N4/c1-20-11-13-21(14-12-20)27-23(19-31(30-27)24-7-3-2-4-8-24)17-28-16-15-22-18-29-26-10-6-5-9-25(22)26/h2-14,18-19,28-29H,15-17H2,1H3/p+1