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

Systemtic Name: 3-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-1-methyl-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile Openeye Name: 3-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-1-methyl-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile CAS Name: 3-[4-(2-hydroxyethyl)-1-piperazin-4-iumyl]-1-methyl-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile IUPAC Name: 3-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-1-methyl-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile Traditional Name: 3-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-1-methyl-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile Formula: C17H26N4O+2 MolecularWeight: 302.41454

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2CCCCC2=C(C(=[NH+]1)N3CC[NH+](CC3)CCO)C#N

Isomeric SMILES

CC1=C2CCCCC2=C(C(=[NH+]1)N3CC[NH+](CC3)CCO)C#N

InChI

InChI=1S/C17H24N4O/c1-13-14-4-2-3-5-15(14)16(12-18)17(19-13)21-8-6-20(7-9-21)10-11-22/h22H,2-11H2,1H3/p+2