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

Systemtic Name: 8-methoxy-4-[4-[(4-nitrophenyl)methyl]piperazin-4-ium-1-yl]-5H-pyrimido[5,4-b]indole Openeye Name: 8-methoxy-4-[4-[(4-nitrophenyl)methyl]piperazin-4-ium-1-yl]-5H-pyrimido[5,4-b]indole CAS Name: 8-methoxy-4-[4-[(4-nitrophenyl)methyl]-1-piperazin-4-iumyl]-5H-pyrimido[5,4-b]indole IUPAC Name: 8-methoxy-4-[4-[(4-nitrophenyl)methyl]piperazin-4-ium-1-yl]-5H-pyrimido[5,4-b]indole Traditional Name: 8-methoxy-4-[4-(4-nitrobenzyl)piperazin-4-ium-1-yl]-5H-pyrimid[5,4-b]indole Formula: C22H23N6O3+ MolecularWeight: 419.45642

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)NC3=C2N=CN=C3N4CC[NH+](CC4)CC5=CC=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

COC1=CC2=C(C=C1)NC3=C2N=CN=C3N4CC[NH+](CC4)CC5=CC=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C22H22N6O3/c1-31-17-6-7-19-18(12-17)20-21(25-19)22(24-14-23-20)27-10-8-26(9-11-27)13-15-2-4-16(5-3-15)28(29)30/h2-7,12,14,25H,8-11,13H2,1H3/p+1