tert-butyl-[(2-chlorophenyl)amino]-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-(4-ethylpiperazin-4-ium-1-yl)phosphanium

Systemtic Name: tert-butyl-[(2-chlorophenyl)amino]-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-(4-ethylpiperazin-4-ium-1-yl)phosphanium Openeye Name: tert-butyl-(2-chloroanilino)-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-(4-ethylpiperazin-4-ium-1-yl)phosphonium CAS Name: tert-butyl-(2-chloroanilino)-(3,5-dimethyl-1-phenyl-4-pyrazolyl)-(4-ethyl-1-piperazin-4-iumyl)phosphonium IUPAC Name: tert-butyl-(2-chloroanilino)-(3,5-dimethyl-1-phenylpyrazol-4-yl)-(4-ethylpiperazin-4-ium-1-yl)phosphanium Traditional Name: tert-butyl-(2-chloroanilino)-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-(4-ethylpiperazin-4-ium-1-yl)phosphonium Formula: C27H39ClN5P+2 MolecularWeight: 500.058821

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)[P+](C2=C(N(N=C2C)C3=CC=CC=C3)C)(C(C)(C)C)NC4=CC=CC=C4Cl

Isomeric SMILES

CC[NH+]1CCN(CC1)[P+](C2=C(N(N=C2C)C3=CC=CC=C3)C)(C(C)(C)C)NC4=CC=CC=C4Cl

InChI

InChI=1S/C27H38ClN5P/c1-7-31-17-19-32(20-18-31)34(27(4,5)6,30-25-16-12-11-15-24(25)28)26-21(2)29-33(22(26)3)23-13-9-8-10-14-23/h8-16,30H,7,17-20H2,1-6H3/q+1/p+1