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

Systemtic Name: 3-(cyclohexylamino)-1-phenyl-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile Openeye Name: 3-(cyclohexylamino)-1-phenyl-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile CAS Name: 3-(cyclohexylamino)-1-phenyl-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile IUPAC Name: 3-(cyclohexylamino)-1-phenyl-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile Traditional Name: 3-(cyclohexylamino)-1-phenyl-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile Formula: C22H26N3+ MolecularWeight: 332.46194

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25N3/c23-15-20-18-13-7-8-14-19(18)21(16-9-3-1-4-10-16)25-22(20)24-17-11-5-2-6-12-17/h1,3-4,9-10,17H,2,5-8,11-14H2,(H,24,25)/p+1