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

Systemtic Name: 8-ethoxy-4-[4-(phenylmethyl)piperazin-4-ium-1-yl]-5H-pyrimido[5,4-b]indole Openeye Name: 4-(4-benzylpiperazin-4-ium-1-yl)-8-ethoxy-5H-pyrimido[5,4-b]indole CAS Name: 8-ethoxy-4-[4-(phenylmethyl)-1-piperazin-4-iumyl]-5H-pyrimido[5,4-b]indole IUPAC Name: 4-(4-benzylpiperazin-4-ium-1-yl)-8-ethoxy-5H-pyrimido[5,4-b]indole Traditional Name: 4-(4-benzylpiperazin-4-ium-1-yl)-8-ethoxy-5H-pyrimid[5,4-b]indole Formula: C23H26N5O+ MolecularWeight: 388.48544

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)NC3=C2N=CN=C3N4CC[NH+](CC4)CC5=CC=CC=C5

Isomeric SMILES

CCOC1=CC2=C(C=C1)NC3=C2N=CN=C3N4CC[NH+](CC4)CC5=CC=CC=C5

InChI

InChI=1S/C23H25N5O/c1-2-29-18-8-9-20-19(14-18)21-22(26-20)23(25-16-24-21)28-12-10-27(11-13-28)15-17-6-4-3-5-7-17/h3-9,14,16,26H,2,10-13,15H2,1H3/p+1