2-(4-chlorophenyl)-5-[(4-methylpiperidin-1-ium-1-yl)methyl]-4-phenyl-pyrazol-3-amine

Systemtic Name: 2-(4-chlorophenyl)-5-[(4-methylpiperidin-1-ium-1-yl)methyl]-4-phenyl-pyrazol-3-amine Openeye Name: 2-(4-chlorophenyl)-5-[(4-methylpiperidin-1-ium-1-yl)methyl]-4-phenyl-pyrazol-3-amine CAS Name: 2-(4-chlorophenyl)-5-[(4-methyl-1-piperidin-1-iumyl)methyl]-4-phenyl-3-pyrazolamine IUPAC Name: 2-(4-chlorophenyl)-5-[(4-methylpiperidin-1-ium-1-yl)methyl]-4-phenylpyrazol-3-amine Traditional Name: [2-(4-chlorophenyl)-5-[(4-methylpiperidin-1-ium-1-yl)methyl]-4-phenyl-pyrazol-3-yl]amine Formula: C22H26ClN4+ MolecularWeight: 381.92164

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC[NH+](CC1)CC2=NN(C(=C2C3=CC=CC=C3)N)C4=CC=C(C=C4)Cl

Isomeric SMILES

CC1CC[NH+](CC1)CC2=NN(C(=C2C3=CC=CC=C3)N)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C22H25ClN4/c1-16-11-13-26(14-12-16)15-20-21(17-5-3-2-4-6-17)22(24)27(25-20)19-9-7-18(23)8-10-19/h2-10,16H,11-15,24H2,1H3/p+1