4-[4-(diphenylmethyl)piperazin-4-ium-1-yl]-8-methoxy-5H-pyrimido[5,4-b]indole

Systemtic Name: 4-[4-(diphenylmethyl)piperazin-4-ium-1-yl]-8-methoxy-5H-pyrimido[5,4-b]indole Openeye Name: 4-(4-benzhydrylpiperazin-4-ium-1-yl)-8-methoxy-5H-pyrimido[5,4-b]indole CAS Name: 4-[4-(diphenylmethyl)-1-piperazin-4-iumyl]-8-methoxy-5H-pyrimido[5,4-b]indole IUPAC Name: 4-(4-benzhydrylpiperazin-4-ium-1-yl)-8-methoxy-5H-pyrimido[5,4-b]indole Traditional Name: 4-(4-benzhydrylpiperazin-4-ium-1-yl)-8-methoxy-5H-pyrimid[5,4-b]indole Formula: C28H28N5O+ MolecularWeight: 450.55482

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)NC3=C2N=CN=C3N4CC[NH+](CC4)C(C5=CC=CC=C5)C6=CC=CC=C6

Isomeric SMILES

COC1=CC2=C(C=C1)NC3=C2N=CN=C3N4CC[NH+](CC4)C(C5=CC=CC=C5)C6=CC=CC=C6

InChI

InChI=1S/C28H27N5O/c1-34-22-12-13-24-23(18-22)25-26(31-24)28(30-19-29-25)33-16-14-32(15-17-33)27(20-8-4-2-5-9-20)21-10-6-3-7-11-21/h2-13,18-19,27,31H,14-17H2,1H3/p+1