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

Systemtic Name: 1-(furan-2-yl)-3-(4-pentanoylpiperazin-1-yl)-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile Openeye Name: 1-(2-furyl)-3-(4-pentanoylpiperazin-1-yl)-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile CAS Name: 1-(2-furanyl)-3-[4-(1-oxopentyl)-1-piperazinyl]-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile IUPAC Name: 1-(furan-2-yl)-3-(4-pentanoylpiperazin-1-yl)-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile Traditional Name: 1-(2-furyl)-3-(4-valerylpiperazino)-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile Formula: C23H29N4O2+ MolecularWeight: 393.50196

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H28N4O2/c1-2-3-10-21(28)26-11-13-27(14-12-26)23-19(16-24)17-7-4-5-8-18(17)22(25-23)20-9-6-15-29-20/h6,9,15H,2-5,7-8,10-14H2,1H3/p+1