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

Systemtic Name: 11-piperazin-4-ium-1-yl-7,8,9,10-tetrahydrobenzimidazolo[1,2-b]isoquinoline-6-carbonitrile Openeye Name: 11-piperazin-4-ium-1-yl-7,8,9,10-tetrahydrobenzimidazolo[1,2-b]isoquinoline-6-carbonitrile CAS Name: 11-(1-piperazin-4-iumyl)-7,8,9,10-tetrahydrobenzimidazolo[1,2-b]isoquinoline-6-carbonitrile IUPAC Name: 11-piperazin-4-ium-1-yl-7,8,9,10-tetrahydrobenzimidazolo[1,2-b]isoquinoline-6-carbonitrile Traditional Name: 11-piperazin-4-ium-1-yl-7,8,9,10-tetrahydrobenzimidazol[1,2-b]isoquinoline-6-carbonitrile Formula: C20H22N5+ MolecularWeight: 332.42218

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(N3C4=CC=CC=C4N=C3C(=C2C1)C#N)N5CC[NH2+]CC5

Isomeric SMILES

C1CCC2=C(N3C4=CC=CC=C4N=C3C(=C2C1)C#N)N5CC[NH2+]CC5

InChI

InChI=1S/C20H21N5/c21-13-16-14-5-1-2-6-15(14)20(24-11-9-22-10-12-24)25-18-8-4-3-7-17(18)23-19(16)25/h3-4,7-8,22H,1-2,5-6,9-12H2/p+1