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

Systemtic Name: 3-(cyclohexylamino)-1-(furan-2-yl)-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile Openeye Name: 3-(cyclohexylamino)-1-(2-furyl)-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile CAS Name: 3-(cyclohexylamino)-1-(2-furanyl)-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile IUPAC Name: 3-(cyclohexylamino)-1-(furan-2-yl)-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile Traditional Name: 3-(cyclohexylamino)-1-(2-furyl)-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile Formula: C20H24N3O+ MolecularWeight: 322.42406

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC2=[NH+]C(=C3CCCCC3=C2C#N)C4=CC=CO4

Isomeric SMILES

C1CCC(CC1)NC2=[NH+]C(=C3CCCCC3=C2C#N)C4=CC=CO4

InChI

InChI=1S/C20H23N3O/c21-13-17-15-9-4-5-10-16(15)19(18-11-6-12-24-18)23-20(17)22-14-7-2-1-3-8-14/h6,11-12,14H,1-5,7-10H2,(H,22,23)/p+1