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

Systemtic Name: 1-phenyl-3-[(phenylmethyl)amino]-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile Openeye Name: 3-(benzylamino)-1-phenyl-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile CAS Name: 1-phenyl-3-[(phenylmethyl)amino]-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile IUPAC Name: 3-(benzylamino)-1-phenyl-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile Traditional Name: 3-(benzylamino)-1-phenyl-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile Formula: C23H22N3+ MolecularWeight: 340.44088

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H21N3/c24-15-21-19-13-7-8-14-20(19)22(18-11-5-2-6-12-18)26-23(21)25-16-17-9-3-1-4-10-17/h1-6,9-12H,7-8,13-14,16H2,(H,25,26)/p+1