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

Systemtic Name: 2-chloranyl-4-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]pyrimidine Openeye Name: 2-chloro-4-[4-[(E)-cinnamyl]piperazin-4-ium-1-yl]pyrimidine CAS Name: 2-chloro-4-[4-[(E)-3-phenylprop-2-enyl]-1-piperazin-4-iumyl]pyrimidine IUPAC Name: 2-chloro-4-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]pyrimidine Traditional Name: 2-chloro-4-[4-[(E)-cinnamyl]piperazin-4-ium-1-yl]pyrimidine Formula: C17H20ClN4+ MolecularWeight: 315.8205

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC=CC2=CC=CC=C2)C3=NC(=NC=C3)Cl

Isomeric SMILES

C1CN(CC[NH+]1C/C=C/C2=CC=CC=C2)C3=NC(=NC=C3)Cl

InChI

InChI=1S/C17H19ClN4/c18-17-19-9-8-16(20-17)22-13-11-21(12-14-22)10-4-7-15-5-2-1-3-6-15/h1-9H,10-14H2/p+1/b7-4+