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

Systemtic Name: 8-ethoxy-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]-8-ethoxy-5H-pyrimido[5,4-b]indole CAS Name: 8-ethoxy-4-[4-[(E)-3-phenylprop-2-enyl]-1-piperazin-4-iumyl]-5H-pyrimido[5,4-b]indole IUPAC Name: 8-ethoxy-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]-8-ethoxy-5H-pyrimid[5,4-b]indole Formula: C25H28N5O+ MolecularWeight: 414.52272

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)NC3=C2N=CN=C3N4CC[NH+](CC4)CC=CC5=CC=CC=C5

Isomeric SMILES

CCOC1=CC2=C(C=C1)NC3=C2N=CN=C3N4CC[NH+](CC4)C/C=C/C5=CC=CC=C5

InChI

InChI=1S/C25H27N5O/c1-2-31-20-10-11-22-21(17-20)23-24(28-22)25(27-18-26-23)30-15-13-29(14-16-30)12-6-9-19-7-4-3-5-8-19/h3-11,17-18,28H,2,12-16H2,1H3/p+1/b9-6+