3-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-1-phenyl-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile

Systemtic Name: 3-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-1-phenyl-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile Openeye Name: 3-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-1-phenyl-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile CAS Name: 3-[4-(2-hydroxyethyl)-1-piperazin-4-iumyl]-1-phenyl-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile IUPAC Name: 3-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-1-phenyl-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile Traditional Name: 3-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-1-phenyl-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile Formula: C22H28N4O+2 MolecularWeight: 364.48392

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C([NH+]=C(C(=C2C1)C#N)N3CC[NH+](CC3)CCO)C4=CC=CC=C4

Isomeric SMILES

C1CCC2=C([NH+]=C(C(=C2C1)C#N)N3CC[NH+](CC3)CCO)C4=CC=CC=C4

InChI

InChI=1S/C22H26N4O/c23-16-20-18-8-4-5-9-19(18)21(17-6-2-1-3-7-17)24-22(20)26-12-10-25(11-13-26)14-15-27/h1-3,6-7,27H,4-5,8-15H2/p+2