1-methyl-3-[[(2S)-2-oxidanylpropyl]amino]-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile

Systemtic Name: 1-methyl-3-[[(2S)-2-oxidanylpropyl]amino]-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile Openeye Name: 3-[[(2S)-2-hydroxypropyl]amino]-1-methyl-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile CAS Name: 3-[[(2S)-2-hydroxypropyl]amino]-1-methyl-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile IUPAC Name: 3-[[(2S)-2-hydroxypropyl]amino]-1-methyl-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile Traditional Name: 3-[[(2S)-2-hydroxypropyl]amino]-1-methyl-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile Formula: C14H20N3O+ MolecularWeight: 246.3281

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=C2CCCCC2=C(C(=[NH+]1)NC[C@H](C)O)C#N

InChI

InChI=1S/C14H19N3O/c1-9(18)8-16-14-13(7-15)12-6-4-3-5-11(12)10(2)17-14/h9,18H,3-6,8H2,1-2H3,(H,16,17)/p+1/t9-/m0/s1