1-methyl-3-piperazin-4-ium-1-yl-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile

Systemtic Name: 1-methyl-3-piperazin-4-ium-1-yl-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile Openeye Name: 1-methyl-3-piperazin-4-ium-1-yl-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile CAS Name: 1-methyl-3-(1-piperazin-4-iumyl)-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile IUPAC Name: 1-methyl-3-piperazin-4-ium-1-yl-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile Traditional Name: 1-methyl-3-piperazin-4-ium-1-yl-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile Formula: C15H22N4+2 MolecularWeight: 258.36198

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C2CCCCC2=C(C(=[NH+]1)N3CC[NH2+]CC3)C#N

Isomeric SMILES

CC1=C2CCCCC2=C(C(=[NH+]1)N3CC[NH2+]CC3)C#N

InChI

InChI=1S/C15H20N4/c1-11-12-4-2-3-5-13(12)14(10-16)15(18-11)19-8-6-17-7-9-19/h17H,2-9H2,1H3/p+2