3-(4-ethylpiperazin-4-ium-1-yl)-1-methyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile

Systemtic Name: 3-(4-ethylpiperazin-4-ium-1-yl)-1-methyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Openeye Name: 3-(4-ethylpiperazin-4-ium-1-yl)-1-methyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile CAS Name: 3-(4-ethyl-1-piperazin-4-iumyl)-1-methyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile IUPAC Name: 3-(4-ethylpiperazin-4-ium-1-yl)-1-methyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Traditional Name: 3-(4-ethylpiperazin-4-ium-1-yl)-1-methyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Formula: C17H25N4+ MolecularWeight: 285.4072

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=NC(=C3CCCCC3=C2C#N)C

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=NC(=C3CCCCC3=C2C#N)C

InChI

InChI=1S/C17H24N4/c1-3-20-8-10-21(11-9-20)17-16(12-18)15-7-5-4-6-14(15)13(2)19-17/h3-11H2,1-2H3/p+1