1-phenyl-3-pyrrolidin-1-yl-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile

Systemtic Name: 1-phenyl-3-pyrrolidin-1-yl-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile Openeye Name: 1-phenyl-3-pyrrolidin-1-yl-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile CAS Name: 1-phenyl-3-(1-pyrrolidinyl)-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile IUPAC Name: 1-phenyl-3-pyrrolidin-1-yl-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile Traditional Name: 1-phenyl-3-pyrrolidino-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile Formula: C20H22N3+ MolecularWeight: 304.40878

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C([NH+]=C(C(=C2C1)C#N)N3CCCC3)C4=CC=CC=C4

Isomeric SMILES

C1CCC2=C([NH+]=C(C(=C2C1)C#N)N3CCCC3)C4=CC=CC=C4

InChI

InChI=1S/C20H21N3/c21-14-18-16-10-4-5-11-17(16)19(15-8-2-1-3-9-15)22-20(18)23-12-6-7-13-23/h1-3,8-9H,4-7,10-13H2/p+1