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

Systemtic Name: 1-butyl-3-(2-morpholin-4-ium-4-ylethylamino)-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile Openeye Name: 1-butyl-3-(2-morpholin-4-ium-4-ylethylamino)-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile CAS Name: 1-butyl-3-[2-(4-morpholin-4-iumyl)ethylamino]-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile IUPAC Name: 1-butyl-3-(2-morpholin-4-ium-4-ylethylamino)-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile Traditional Name: 1-butyl-3-(2-morpholin-4-ium-4-ylethylamino)-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile Formula: C20H32N4O+2 MolecularWeight: 344.49428

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C2CCCCC2=C(C(=[NH+]1)NCC[NH+]3CCOCC3)C#N

Isomeric SMILES

CCCCC1=C2CCCCC2=C(C(=[NH+]1)NCC[NH+]3CCOCC3)C#N

InChI

InChI=1S/C20H30N4O/c1-2-3-8-19-17-7-5-4-6-16(17)18(15-21)20(23-19)22-9-10-24-11-13-25-14-12-24/h2-14H2,1H3,(H,22,23)/p+2