1-methyl-3-[[(2R)-1-oxidanylbutan-2-yl]amino]-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile

Systemtic Name: 1-methyl-3-[[(2R)-1-oxidanylbutan-2-yl]amino]-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile Openeye Name: 3-[[(1R)-1-(hydroxymethyl)propyl]amino]-1-methyl-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile CAS Name: 3-[[(2R)-1-hydroxybutan-2-yl]amino]-1-methyl-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile IUPAC Name: 3-[[(2R)-1-hydroxybutan-2-yl]amino]-1-methyl-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile Traditional Name: 1-methyl-3-[[(1R)-1-methylolpropyl]amino]-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile Formula: C15H22N3O+ MolecularWeight: 260.35468

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CO)NC1=[NH+]C(=C2CCCCC2=C1C#N)C

Isomeric SMILES

CC[C@H](CO)NC1=[NH+]C(=C2CCCCC2=C1C#N)C

InChI

InChI=1S/C15H21N3O/c1-3-11(9-19)18-15-14(8-16)13-7-5-4-6-12(13)10(2)17-15/h11,19H,3-7,9H2,1-2H3,(H,17,18)/p+1/t11-/m1/s1