1-methyl-3-(2-methylpropylamino)-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile

Systemtic Name: 1-methyl-3-(2-methylpropylamino)-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile Openeye Name: 3-(isobutylamino)-1-methyl-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile CAS Name: 1-methyl-3-(2-methylpropylamino)-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile IUPAC Name: 1-methyl-3-(2-methylpropylamino)-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile Traditional Name: 3-(isobutylamino)-1-methyl-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile Formula: C15H22N3+ MolecularWeight: 244.35528

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2CCCCC2=C(C(=[NH+]1)NCC(C)C)C#N

Isomeric SMILES

CC1=C2CCCCC2=C(C(=[NH+]1)NCC(C)C)C#N

InChI

InChI=1S/C15H21N3/c1-10(2)9-17-15-14(8-16)13-7-5-4-6-12(13)11(3)18-15/h10H,4-7,9H2,1-3H3,(H,17,18)/p+1