2-(3-chloranyl-4-methyl-phenyl)-4-phenyl-5-[[4-(phenylmethyl)piperazin-1-ium-1-yl]methyl]pyrazol-3-amine

Systemtic Name: 2-(3-chloranyl-4-methyl-phenyl)-4-phenyl-5-[[4-(phenylmethyl)piperazin-1-ium-1-yl]methyl]pyrazol-3-amine Openeye Name: 5-[(4-benzylpiperazin-1-ium-1-yl)methyl]-2-(3-chloro-4-methyl-phenyl)-4-phenyl-pyrazol-3-amine CAS Name: 2-(3-chloro-4-methylphenyl)-4-phenyl-5-[[4-(phenylmethyl)-1-piperazin-1-iumyl]methyl]-3-pyrazolamine IUPAC Name: 5-[(4-benzylpiperazin-1-ium-1-yl)methyl]-2-(3-chloro-4-methylphenyl)-4-phenylpyrazol-3-amine Traditional Name: [5-[(4-benzylpiperazin-1-ium-1-yl)methyl]-2-(3-chloro-4-methyl-phenyl)-4-phenyl-pyrazol-3-yl]amine Formula: C28H31ClN5+ MolecularWeight: 473.03224

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C(=C(C(=N2)C[NH+]3CCN(CC3)CC4=CC=CC=C4)C5=CC=CC=C5)N)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)N2C(=C(C(=N2)C[NH+]3CCN(CC3)CC4=CC=CC=C4)C5=CC=CC=C5)N)Cl

InChI

InChI=1S/C28H30ClN5/c1-21-12-13-24(18-25(21)29)34-28(30)27(23-10-6-3-7-11-23)26(31-34)20-33-16-14-32(15-17-33)19-22-8-4-2-5-9-22/h2-13,18H,14-17,19-20,30H2,1H3/p+1