4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-8-methoxy-5H-pyrimido[5,4-b]indole

Systemtic Name: 4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-8-methoxy-5H-pyrimido[5,4-b]indole Openeye Name: 4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-8-methoxy-5H-pyrimido[5,4-b]indole CAS Name: 4-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-4-iumyl]-8-methoxy-5H-pyrimido[5,4-b]indole IUPAC Name: 4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-8-methoxy-5H-pyrimido[5,4-b]indole Traditional Name: 8-methoxy-4-(4-piperonylpiperazin-4-ium-1-yl)-5H-pyrimid[5,4-b]indole Formula: C23H24N5O3+ MolecularWeight: 418.46836

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)NC3=C2N=CN=C3N4CC[NH+](CC4)CC5=CC6=C(C=C5)OCO6

Isomeric SMILES

COC1=CC2=C(C=C1)NC3=C2N=CN=C3N4CC[NH+](CC4)CC5=CC6=C(C=C5)OCO6

InChI

InChI=1S/C23H23N5O3/c1-29-16-3-4-18-17(11-16)21-22(26-18)23(25-13-24-21)28-8-6-27(7-9-28)12-15-2-5-19-20(10-15)31-14-30-19/h2-5,10-11,13,26H,6-9,12,14H2,1H3/p+1