1-[(1-tert-butyl-3-phenyl-pyrazol-4-yl)methyl]piperazin-4-ium

Systemtic Name: 1-[(1-tert-butyl-3-phenyl-pyrazol-4-yl)methyl]piperazin-4-ium Openeye Name: 1-[(1-tert-butyl-3-phenyl-pyrazol-4-yl)methyl]piperazin-4-ium CAS Name: 1-[(1-tert-butyl-3-phenyl-4-pyrazolyl)methyl]piperazin-4-ium IUPAC Name: 1-[(1-tert-butyl-3-phenylpyrazol-4-yl)methyl]piperazin-4-ium Traditional Name: 1-[(1-tert-butyl-3-phenyl-pyrazol-4-yl)methyl]piperazin-4-ium Formula: C18H27N4+ MolecularWeight: 299.43378

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N1C=C(C(=N1)C2=CC=CC=C2)CN3CC[NH2+]CC3

Isomeric SMILES

CC(C)(C)N1C=C(C(=N1)C2=CC=CC=C2)CN3CC[NH2+]CC3

InChI

InChI=1S/C18H26N4/c1-18(2,3)22-14-16(13-21-11-9-19-10-12-21)17(20-22)15-7-5-4-6-8-15/h4-8,14,19H,9-13H2,1-3H3/p+1