1-methyl-3-(2-piperidin-1-ium-1-ylethoxy)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile

Systemtic Name: 1-methyl-3-(2-piperidin-1-ium-1-ylethoxy)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Openeye Name: 1-methyl-3-(2-piperidin-1-ium-1-ylethoxy)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile CAS Name: 1-methyl-3-[2-(1-piperidin-1-iumyl)ethoxy]-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile IUPAC Name: 1-methyl-3-(2-piperidin-1-ium-1-ylethoxy)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Traditional Name: 1-methyl-3-(2-piperidin-1-ium-1-ylethoxy)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Formula: C18H26N3O+ MolecularWeight: 300.41854

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2CCCCC2=C(C(=N1)OCC[NH+]3CCCCC3)C#N

Isomeric SMILES

CC1=C2CCCCC2=C(C(=N1)OCC[NH+]3CCCCC3)C#N

InChI

InChI=1S/C18H25N3O/c1-14-15-7-3-4-8-16(15)17(13-19)18(20-14)22-12-11-21-9-5-2-6-10-21/h2-12H2,1H3/p+1