8-methyl-4-(4-phenylpiperazin-4-ium-1-yl)-5H-pyrimido[5,4-b]indole

Systemtic Name: 8-methyl-4-(4-phenylpiperazin-4-ium-1-yl)-5H-pyrimido[5,4-b]indole Openeye Name: 8-methyl-4-(4-phenylpiperazin-4-ium-1-yl)-5H-pyrimido[5,4-b]indole CAS Name: 8-methyl-4-(4-phenyl-1-piperazin-4-iumyl)-5H-pyrimido[5,4-b]indole IUPAC Name: 8-methyl-4-(4-phenylpiperazin-4-ium-1-yl)-5H-pyrimido[5,4-b]indole Traditional Name: 8-methyl-4-(4-phenylpiperazin-4-ium-1-yl)-5H-pyrimid[5,4-b]indole Formula: C21H22N5+ MolecularWeight: 344.43288

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)NC3=C2N=CN=C3N4CC[NH+](CC4)C5=CC=CC=C5

Isomeric SMILES

CC1=CC2=C(C=C1)NC3=C2N=CN=C3N4CC[NH+](CC4)C5=CC=CC=C5

InChI

InChI=1S/C21H21N5/c1-15-7-8-18-17(13-15)19-20(24-18)21(23-14-22-19)26-11-9-25(10-12-26)16-5-3-2-4-6-16/h2-8,13-14,24H,9-12H2,1H3/p+1