1-ethyl-3-(2-morpholin-4-ium-4-ylethylamino)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile

Systemtic Name: 1-ethyl-3-(2-morpholin-4-ium-4-ylethylamino)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Openeye Name: 1-ethyl-3-(2-morpholin-4-ium-4-ylethylamino)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile CAS Name: 1-ethyl-3-[2-(4-morpholin-4-iumyl)ethylamino]-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile IUPAC Name: 1-ethyl-3-(2-morpholin-4-ium-4-ylethylamino)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Traditional Name: 1-ethyl-3-(2-morpholin-4-ium-4-ylethylamino)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Formula: C18H27N4O+ MolecularWeight: 315.43318

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C2CCCCC2=C(C(=N1)NCC[NH+]3CCOCC3)C#N

Isomeric SMILES

CCC1=C2CCCCC2=C(C(=N1)NCC[NH+]3CCOCC3)C#N

InChI

InChI=1S/C18H26N4O/c1-2-17-15-6-4-3-5-14(15)16(13-19)18(21-17)20-7-8-22-9-11-23-12-10-22/h2-12H2,1H3,(H,20,21)/p+1