1-phenyl-3-piperazin-4-ium-1-yl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile

Systemtic Name: 1-phenyl-3-piperazin-4-ium-1-yl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Openeye Name: 1-phenyl-3-piperazin-4-ium-1-yl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile CAS Name: 1-phenyl-3-(1-piperazin-4-iumyl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile IUPAC Name: 1-phenyl-3-piperazin-4-ium-1-yl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Traditional Name: 1-phenyl-3-piperazin-4-ium-1-yl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Formula: C20H23N4+ MolecularWeight: 319.42342

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(N=C(C(=C2C1)C#N)N3CC[NH2+]CC3)C4=CC=CC=C4

Isomeric SMILES

C1CCC2=C(N=C(C(=C2C1)C#N)N3CC[NH2+]CC3)C4=CC=CC=C4

InChI

InChI=1S/C20H22N4/c21-14-18-16-8-4-5-9-17(16)19(15-6-2-1-3-7-15)23-20(18)24-12-10-22-11-13-24/h1-3,6-7,22H,4-5,8-13H2/p+1