1-(furan-2-yl)-3-[(phenylmethyl)amino]-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile

Systemtic Name: 1-(furan-2-yl)-3-[(phenylmethyl)amino]-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile Openeye Name: 3-(benzylamino)-1-(2-furyl)-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile CAS Name: 1-(2-furanyl)-3-[(phenylmethyl)amino]-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile IUPAC Name: 3-(benzylamino)-1-(furan-2-yl)-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile Traditional Name: 3-(benzylamino)-1-(2-furyl)-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile Formula: C21H20N3O+ MolecularWeight: 330.403

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C([NH+]=C(C(=C2C1)C#N)NCC3=CC=CC=C3)C4=CC=CO4

Isomeric SMILES

C1CCC2=C([NH+]=C(C(=C2C1)C#N)NCC3=CC=CC=C3)C4=CC=CO4

InChI

InChI=1S/C21H19N3O/c22-13-18-16-9-4-5-10-17(16)20(19-11-6-12-25-19)24-21(18)23-14-15-7-2-1-3-8-15/h1-3,6-8,11-12H,4-5,9-10,14H2,(H,23,24)/p+1