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

Systemtic Name: 5,8-dimethyl-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]-5,8-dimethyl-pyrimido[5,4-b]indole CAS Name: 5,8-dimethyl-4-[4-[(E)-3-phenylprop-2-enyl]-1-piperazin-4-iumyl]pyrimido[5,4-b]indole IUPAC Name: 5,8-dimethyl-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]-5,8-dimethyl-pyrimid[5,4-b]indole Formula: C25H28N5+ MolecularWeight: 398.52332

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N(C3=C2N=CN=C3N4CC[NH+](CC4)CC=CC5=CC=CC=C5)C

Isomeric SMILES

CC1=CC2=C(C=C1)N(C3=C2N=CN=C3N4CC[NH+](CC4)C/C=C/C5=CC=CC=C5)C

InChI

InChI=1S/C25H27N5/c1-19-10-11-22-21(17-19)23-24(28(22)2)25(27-18-26-23)30-15-13-29(14-16-30)12-6-9-20-7-4-3-5-8-20/h3-11,17-18H,12-16H2,1-2H3/p+1/b9-6+