1-(furan-2-yl)-3-piperazin-4-ium-1-yl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile

Systemtic Name: 1-(furan-2-yl)-3-piperazin-4-ium-1-yl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Openeye Name: 1-(2-furyl)-3-piperazin-4-ium-1-yl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile CAS Name: 1-(2-furanyl)-3-(1-piperazin-4-iumyl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile IUPAC Name: 1-(furan-2-yl)-3-piperazin-4-ium-1-yl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Traditional Name: 1-(2-furyl)-3-piperazin-4-ium-1-yl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Formula: C18H21N4O+ MolecularWeight: 309.38554

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(N=C(C(=C2C1)C#N)N3CC[NH2+]CC3)C4=CC=CO4

Isomeric SMILES

C1CCC2=C(N=C(C(=C2C1)C#N)N3CC[NH2+]CC3)C4=CC=CO4

InChI

InChI=1S/C18H20N4O/c19-12-15-13-4-1-2-5-14(13)17(16-6-3-11-23-16)21-18(15)22-9-7-20-8-10-22/h3,6,11,20H,1-2,4-5,7-10H2/p+1