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

Systemtic Name: 3-(4-ethanoylpiperazin-1-yl)-1-(furan-2-yl)-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile Openeye Name: 3-(4-acetylpiperazin-1-yl)-1-(2-furyl)-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile CAS Name: 3-(4-acetyl-1-piperazinyl)-1-(2-furanyl)-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile IUPAC Name: 3-(4-acetylpiperazin-1-yl)-1-(furan-2-yl)-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile Traditional Name: 3-(4-acetylpiperazino)-1-(2-furyl)-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile Formula: C20H23N4O2+ MolecularWeight: 351.42222

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)C2=[NH+]C(=C3CCCCC3=C2C#N)C4=CC=CO4

Isomeric SMILES

CC(=O)N1CCN(CC1)C2=[NH+]C(=C3CCCCC3=C2C#N)C4=CC=CO4

InChI

InChI=1S/C20H22N4O2/c1-14(25)23-8-10-24(11-9-23)20-17(13-21)15-5-2-3-6-16(15)19(22-20)18-7-4-12-26-18/h4,7,12H,2-3,5-6,8-11H2,1H3/p+1