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

Systemtic Name: 8-methoxy-5-methyl-4-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]pyrimido[5,4-b]indole Openeye Name: 4-[4-[(E)-cinnamyl]piperazin-4-ium-1-yl]-8-methoxy-5-methyl-pyrimido[5,4-b]indole CAS Name: 8-methoxy-5-methyl-4-[4-[(E)-3-phenylprop-2-enyl]-1-piperazin-4-iumyl]pyrimido[5,4-b]indole IUPAC Name: 8-methoxy-5-methyl-4-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]pyrimido[5,4-b]indole Traditional Name: 4-[4-[(E)-cinnamyl]piperazin-4-ium-1-yl]-8-methoxy-5-methyl-pyrimid[5,4-b]indole Formula: C25H28N5O+ MolecularWeight: 414.52272

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)OC)C3=C1C(=NC=N3)N4CC[NH+](CC4)CC=CC5=CC=CC=C5

Isomeric SMILES

CN1C2=C(C=C(C=C2)OC)C3=C1C(=NC=N3)N4CC[NH+](CC4)C/C=C/C5=CC=CC=C5

InChI

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