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

Systemtic Name: 3-(dibutylamino)-1-(furan-2-yl)-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile Openeye Name: 3-(dibutylamino)-1-(2-furyl)-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile CAS Name: 3-(dibutylamino)-1-(2-furanyl)-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile IUPAC Name: 3-(dibutylamino)-1-(furan-2-yl)-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile Traditional Name: 3-(dibutylamino)-1-(2-furyl)-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile Formula: C22H30N3O+ MolecularWeight: 352.4931

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CCCC)C1=[NH+]C(=C2CCCCC2=C1C#N)C3=CC=CO3

Isomeric SMILES

CCCCN(CCCC)C1=[NH+]C(=C2CCCCC2=C1C#N)C3=CC=CO3

InChI

InChI=1S/C22H29N3O/c1-3-5-13-25(14-6-4-2)22-19(16-23)17-10-7-8-11-18(17)21(24-22)20-12-9-15-26-20/h9,12,15H,3-8,10-11,13-14H2,1-2H3/p+1