8-[[(3S)-3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)piperidin-1-yl]methyl]quinoline

Systemtic Name: 8-[[(3S)-3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)piperidin-1-yl]methyl]quinoline Openeye Name: 8-[[(3S)-3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)-1-piperidyl]methyl]quinoline CAS Name: 8-[[(3S)-3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)-1-piperidinyl]methyl]quinoline IUPAC Name: 8-[[(3S)-3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)piperidin-1-yl]methyl]quinoline Traditional Name: 8-[[(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=CC=CC3=C2N=CC=C3)[NH+]4CCC5=CC=CC=C5C4

Isomeric SMILES

C1C[C@@H](CN(C1)CC2=CC=CC3=C2N=CC=C3)[NH+]4CCC5=CC=CC=C5C4

InChI

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