2-[(3S)-1-(pyridin-2-ylmethyl)piperidin-3-yl]-1,2,3,4-tetrahydroisoquinolin-2-ium

Systemtic Name: 2-[(3S)-1-(pyridin-2-ylmethyl)piperidin-3-yl]-1,2,3,4-tetrahydroisoquinolin-2-ium Openeye Name: 2-[(3S)-1-(2-pyridylmethyl)-3-piperidyl]-1,2,3,4-tetrahydroisoquinolin-2-ium CAS Name: 2-[(3S)-1-(2-pyridinylmethyl)-3-piperidinyl]-1,2,3,4-tetrahydroisoquinolin-2-ium IUPAC Name: 2-[(3S)-1-(pyridin-2-ylmethyl)piperidin-3-yl]-1,2,3,4-tetrahydroisoquinolin-2-ium Traditional Name: 2-[(3S)-1-(2-pyridylmethyl)-3-piperidyl]-1,2,3,4-tetrahydroisoquinolin-2-ium Formula: C20H26N3+ MolecularWeight: 308.44054

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)CC2=CC=CC=N2)[NH+]3CCC4=CC=CC=C4C3

Isomeric SMILES

C1C[C@@H](CN(C1)CC2=CC=CC=N2)[NH+]3CCC4=CC=CC=C4C3

InChI

InChI=1S/C20H25N3/c1-2-7-18-14-23(13-10-17(18)6-1)20-9-5-12-22(16-20)15-19-8-3-4-11-21-19/h1-4,6-8,11,20H,5,9-10,12-16H2/p+1/t20-/m0/s1