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

Systemtic Name: 9-methyl-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-methyl-5H-pyrimido[5,4-b]indole CAS Name: 9-methyl-4-[4-[(E)-3-phenylprop-2-enyl]-1-piperazin-4-iumyl]-5H-pyrimido[5,4-b]indole IUPAC Name: 9-methyl-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-methyl-5H-pyrimid[5,4-b]indole Formula: C24H26N5+ MolecularWeight: 384.49674

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC=C1)NC3=C2N=CN=C3N4CC[NH+](CC4)CC=CC5=CC=CC=C5

Isomeric SMILES

CC1=C2C(=CC=C1)NC3=C2N=CN=C3N4CC[NH+](CC4)C/C=C/C5=CC=CC=C5

InChI

InChI=1S/C24H25N5/c1-18-7-5-11-20-21(18)22-23(27-20)24(26-17-25-22)29-15-13-28(14-16-29)12-6-10-19-8-3-2-4-9-19/h2-11,17,27H,12-16H2,1H3/p+1/b10-6+