11-(4-ethylpiperazin-4-ium-1-yl)-7,8,9,10-tetrahydrobenzimidazolo[1,2-b]isoquinoline-6-carbonitrile

Systemtic Name: 11-(4-ethylpiperazin-4-ium-1-yl)-7,8,9,10-tetrahydrobenzimidazolo[1,2-b]isoquinoline-6-carbonitrile Openeye Name: 11-(4-ethylpiperazin-4-ium-1-yl)-7,8,9,10-tetrahydrobenzimidazolo[1,2-b]isoquinoline-6-carbonitrile CAS Name: 11-(4-ethyl-1-piperazin-4-iumyl)-7,8,9,10-tetrahydrobenzimidazolo[1,2-b]isoquinoline-6-carbonitrile IUPAC Name: 11-(4-ethylpiperazin-4-ium-1-yl)-7,8,9,10-tetrahydrobenzimidazolo[1,2-b]isoquinoline-6-carbonitrile Traditional Name: 11-(4-ethylpiperazin-4-ium-1-yl)-7,8,9,10-tetrahydrobenzimidazol[1,2-b]isoquinoline-6-carbonitrile Formula: C22H26N5+ MolecularWeight: 360.47534

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=C3CCCCC3=C(C4=NC5=CC=CC=C5N24)C#N

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=C3CCCCC3=C(C4=NC5=CC=CC=C5N24)C#N

InChI

InChI=1S/C22H25N5/c1-2-25-11-13-26(14-12-25)22-17-8-4-3-7-16(17)18(15-23)21-24-19-9-5-6-10-20(19)27(21)22/h5-6,9-10H,2-4,7-8,11-14H2,1H3/p+1