4-[4-(phenylmethyl)piperazin-4-ium-1-yl]-5H-pyrimido[5,4-b]indole

Systemtic Name: 4-[4-(phenylmethyl)piperazin-4-ium-1-yl]-5H-pyrimido[5,4-b]indole Openeye Name: 4-(4-benzylpiperazin-4-ium-1-yl)-5H-pyrimido[5,4-b]indole CAS Name: 4-[4-(phenylmethyl)-1-piperazin-4-iumyl]-5H-pyrimido[5,4-b]indole IUPAC Name: 4-(4-benzylpiperazin-4-ium-1-yl)-5H-pyrimido[5,4-b]indole Traditional Name: 4-(4-benzylpiperazin-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:

C1CN(CC[NH+]1CC2=CC=CC=C2)C3=NC=NC4=C3NC5=CC=CC=C54

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)C3=NC=NC4=C3NC5=CC=CC=C54

InChI

InChI=1S/C21H21N5/c1-2-6-16(7-3-1)14-25-10-12-26(13-11-25)21-20-19(22-15-23-21)17-8-4-5-9-18(17)24-20/h1-9,15,24H,10-14H2/p+1