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

Systemtic Name: 7-methyl-4-[4-(phenylmethyl)piperazin-4-ium-1-yl]-5H-pyrimido[5,4-b]indole Openeye Name: 4-(4-benzylpiperazin-4-ium-1-yl)-7-methyl-5H-pyrimido[5,4-b]indole CAS Name: 7-methyl-4-[4-(phenylmethyl)-1-piperazin-4-iumyl]-5H-pyrimido[5,4-b]indole IUPAC Name: 4-(4-benzylpiperazin-4-ium-1-yl)-7-methyl-5H-pyrimido[5,4-b]indole Traditional Name: 4-(4-benzylpiperazin-4-ium-1-yl)-7-methyl-5H-pyrimid[5,4-b]indole Formula: C22H24N5+ MolecularWeight: 358.45946

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C3=C(N2)C(=NC=N3)N4CC[NH+](CC4)CC5=CC=CC=C5

Isomeric SMILES

CC1=CC2=C(C=C1)C3=C(N2)C(=NC=N3)N4CC[NH+](CC4)CC5=CC=CC=C5

InChI

InChI=1S/C22H23N5/c1-16-7-8-18-19(13-16)25-21-20(18)23-15-24-22(21)27-11-9-26(10-12-27)14-17-5-3-2-4-6-17/h2-8,13,15,25H,9-12,14H2,1H3/p+1