4-(1-methylpyrazol-4-yl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]pyrimidine

Systemtic Name: 4-(1-methylpyrazol-4-yl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]pyrimidine Openeye Name: 2-[4-[(E)-cinnamyl]piperazin-4-ium-1-yl]-4-(1-methylpyrazol-4-yl)pyrimidine CAS Name: 4-(1-methyl-4-pyrazolyl)-2-[4-[(E)-3-phenylprop-2-enyl]-1-piperazin-4-iumyl]pyrimidine IUPAC Name: 4-(1-methylpyrazol-4-yl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]pyrimidine Traditional Name: 2-[4-[(E)-cinnamyl]piperazin-4-ium-1-yl]-4-(1-methylpyrazol-4-yl)pyrimidine Formula: C21H25N6+ MolecularWeight: 361.4634

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=N1)C2=NC(=NC=C2)N3CC[NH+](CC3)CC=CC4=CC=CC=C4

Isomeric SMILES

CN1C=C(C=N1)C2=NC(=NC=C2)N3CC[NH+](CC3)C/C=C/C4=CC=CC=C4

InChI

InChI=1S/C21H24N6/c1-25-17-19(16-23-25)20-9-10-22-21(24-20)27-14-12-26(13-15-27)11-5-8-18-6-3-2-4-7-18/h2-10,16-17H,11-15H2,1H3/p+1/b8-5+