(E)-1-[4-(phenylmethyl)piperazin-4-ium-1-yl]-3-(1-phenylpyrazol-4-yl)prop-2-en-1-one

Systemtic Name: (E)-1-[4-(phenylmethyl)piperazin-4-ium-1-yl]-3-(1-phenylpyrazol-4-yl)prop-2-en-1-one Openeye Name: (E)-1-(4-benzylpiperazin-4-ium-1-yl)-3-(1-phenylpyrazol-4-yl)prop-2-en-1-one CAS Name: (E)-1-[4-(phenylmethyl)-1-piperazin-4-iumyl]-3-(1-phenyl-4-pyrazolyl)-2-propen-1-one IUPAC Name: (E)-1-(4-benzylpiperazin-4-ium-1-yl)-3-(1-phenylpyrazol-4-yl)prop-2-en-1-one Traditional Name: (E)-1-(4-benzylpiperazin-4-ium-1-yl)-3-(1-phenylpyrazol-4-yl)prop-2-en-1-one Formula: C23H25N4O+ MolecularWeight: 373.4708

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=O)C=CC3=CN(N=C3)C4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=O)/C=C/C3=CN(N=C3)C4=CC=CC=C4

InChI

InChI=1S/C23H24N4O/c28-23(12-11-21-17-24-27(19-21)22-9-5-2-6-10-22)26-15-13-25(14-16-26)18-20-7-3-1-4-8-20/h1-12,17,19H,13-16,18H2/p+1/b12-11+