7,8-dimethoxy-4-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]-5H-pyrimido[5,4-b]indole

Systemtic Name: 7,8-dimethoxy-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]-7,8-dimethoxy-5H-pyrimido[5,4-b]indole CAS Name: 7,8-dimethoxy-4-[4-[(E)-3-phenylprop-2-enyl]-1-piperazin-4-iumyl]-5H-pyrimido[5,4-b]indole IUPAC Name: 7,8-dimethoxy-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]-7,8-dimethoxy-5H-pyrimid[5,4-b]indole Formula: C25H28N5O2+ MolecularWeight: 430.52212

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C3=C(N2)C(=NC=N3)N4CC[NH+](CC4)CC=CC5=CC=CC=C5)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C3=C(N2)C(=NC=N3)N4CC[NH+](CC4)C/C=C/C5=CC=CC=C5)OC

InChI

InChI=1S/C25H27N5O2/c1-31-21-15-19-20(16-22(21)32-2)28-24-23(19)26-17-27-25(24)30-13-11-29(12-14-30)10-6-9-18-7-4-3-5-8-18/h3-9,15-17,28H,10-14H2,1-2H3/p+1/b9-6+