4-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]-5H-pyrimido[5,4-b]indole

Systemtic Name: 4-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]-5H-pyrimido[5,4-b]indole Openeye Name: 4-[4-[(E)-cinnamyl]piperazin-4-ium-1-yl]-5H-pyrimido[5,4-b]indole CAS Name: 4-[4-[(E)-3-phenylprop-2-enyl]-1-piperazin-4-iumyl]-5H-pyrimido[5,4-b]indole IUPAC Name: 4-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]-5H-pyrimido[5,4-b]indole Traditional Name: 4-[4-[(E)-cinnamyl]piperazin-4-ium-1-yl]-5H-pyrimid[5,4-b]indole Formula: C23H24N5+ MolecularWeight: 370.47016

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC=CC2=CC=CC=C2)C3=NC=NC4=C3NC5=CC=CC=C54

Isomeric SMILES

C1CN(CC[NH+]1C/C=C/C2=CC=CC=C2)C3=NC=NC4=C3NC5=CC=CC=C54

InChI

InChI=1S/C23H23N5/c1-2-7-18(8-3-1)9-6-12-27-13-15-28(16-14-27)23-22-21(24-17-25-23)19-10-4-5-11-20(19)26-22/h1-11,17,26H,12-16H2/p+1/b9-6+