N-[[5-(2,4-dichlorophenyl)-1H-pyrazol-4-yl]methyl]-2-pyrrolidin-1-ium-1-yl-ethanamine

Systemtic Name: N-[[5-(2,4-dichlorophenyl)-1H-pyrazol-4-yl]methyl]-2-pyrrolidin-1-ium-1-yl-ethanamine Openeye Name: N-[[5-(2,4-dichlorophenyl)-1H-pyrazol-4-yl]methyl]-2-pyrrolidin-1-ium-1-yl-ethanamine CAS Name: N-[[5-(2,4-dichlorophenyl)-1H-pyrazol-4-yl]methyl]-2-(1-pyrrolidin-1-iumyl)ethanamine IUPAC Name: N-[[5-(2,4-dichlorophenyl)-1H-pyrazol-4-yl]methyl]-2-pyrrolidin-1-ium-1-ylethanamine Traditional Name: [5-(2,4-dichlorophenyl)-1H-pyrazol-4-yl]methyl-(2-pyrrolidin-1-ium-1-ylethyl)amine Formula: C16H21Cl2N4+ MolecularWeight: 340.27074

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CCNCC2=C(NN=C2)C3=C(C=C(C=C3)Cl)Cl

Isomeric SMILES

C1CC[NH+](C1)CCNCC2=C(NN=C2)C3=C(C=C(C=C3)Cl)Cl

InChI

InChI=1S/C16H20Cl2N4/c17-13-3-4-14(15(18)9-13)16-12(11-20-21-16)10-19-5-8-22-6-1-2-7-22/h3-4,9,11,19H,1-2,5-8,10H2,(H,20,21)/p+1