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

Systemtic Name: 9-methoxy-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]-9-methoxy-5H-pyrimido[5,4-b]indole CAS Name: 9-methoxy-4-[4-[(E)-3-phenylprop-2-enyl]-1-piperazin-4-iumyl]-5H-pyrimido[5,4-b]indole IUPAC Name: 9-methoxy-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]-9-methoxy-5H-pyrimid[5,4-b]indole Formula: C24H26N5O+ MolecularWeight: 400.49614

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC2=C1C3=C(N2)C(=NC=N3)N4CC[NH+](CC4)CC=CC5=CC=CC=C5

Isomeric SMILES

COC1=CC=CC2=C1C3=C(N2)C(=NC=N3)N4CC[NH+](CC4)C/C=C/C5=CC=CC=C5

InChI

InChI=1S/C24H25N5O/c1-30-20-11-5-10-19-21(20)22-23(27-19)24(26-17-25-22)29-15-13-28(14-16-29)12-6-9-18-7-3-2-4-8-18/h2-11,17,27H,12-16H2,1H3/p+1/b9-6+