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

Systemtic Name: 3-[[(2S)-2-oxidanylpropyl]amino]-1-propan-2-yl-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile Openeye Name: 3-[[(2S)-2-hydroxypropyl]amino]-1-isopropyl-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile CAS Name: 3-[[(2S)-2-hydroxypropyl]amino]-1-propan-2-yl-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile IUPAC Name: 3-[[(2S)-2-hydroxypropyl]amino]-1-propan-2-yl-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile Traditional Name: 3-[[(2S)-2-hydroxypropyl]amino]-1-isopropyl-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile Formula: C16H24N3O+ MolecularWeight: 274.38126

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C2CCCCC2=C(C(=[NH+]1)NCC(C)O)C#N

Isomeric SMILES

C[C@@H](CNC1=[NH+]C(=C2CCCCC2=C1C#N)C(C)C)O

InChI

InChI=1S/C16H23N3O/c1-10(2)15-13-7-5-4-6-12(13)14(8-17)16(19-15)18-9-11(3)20/h10-11,20H,4-7,9H2,1-3H3,(H,18,19)/p+1/t11-/m0/s1