[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]azanium

Systemtic Name: [5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]azanium Openeye Name: [5-(p-tolyl)-1H-pyrazol-4-yl]methyl-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]ammonium CAS Name: [5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl-[[4-(1-pyrrolidin-1-iumylmethyl)phenyl]methyl]ammonium IUPAC Name: [5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]azanium Traditional Name: [5-(p-tolyl)-1H-pyrazol-4-yl]methyl-[4-(pyrrolidin-1-ium-1-ylmethyl)benzyl]ammonium Formula: C23H30N4+2 MolecularWeight: 362.5111

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(C=NN2)C[NH2+]CC3=CC=C(C=C3)C[NH+]4CCCC4

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(C=NN2)C[NH2+]CC3=CC=C(C=C3)C[NH+]4CCCC4

InChI

InChI=1S/C23H28N4/c1-18-4-10-21(11-5-18)23-22(16-25-26-23)15-24-14-19-6-8-20(9-7-19)17-27-12-2-3-13-27/h4-11,16,24H,2-3,12-15,17H2,1H3,(H,25,26)/p+2