2-[[(3S)-3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)piperidin-1-yl]methyl]quinoline

Systemtic Name: 2-[[(3S)-3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)piperidin-1-yl]methyl]quinoline Openeye Name: 2-[[(3S)-3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)-1-piperidyl]methyl]quinoline CAS Name: 2-[[(3S)-3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)-1-piperidinyl]methyl]quinoline IUPAC Name: 2-[[(3S)-3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)piperidin-1-yl]methyl]quinoline Traditional Name: 2-[[(3S)-3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)piperidino]methyl]quinoline Formula: C24H28N3+ MolecularWeight: 358.49922

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)CC2=NC3=CC=CC=C3C=C2)[NH+]4CCC5=CC=CC=C5C4

Isomeric SMILES

C1C[C@@H](CN(C1)CC2=NC3=CC=CC=C3C=C2)[NH+]4CCC5=CC=CC=C5C4

InChI

InChI=1S/C24H27N3/c1-2-8-21-16-27(15-13-19(21)6-1)23-9-5-14-26(18-23)17-22-12-11-20-7-3-4-10-24(20)25-22/h1-4,6-8,10-12,23H,5,9,13-18H2/p+1/t23-/m0/s1