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

Systemtic Name: 2-[(3S)-1-[(3-pyrazol-1-ylphenyl)methyl]piperidin-3-yl]-1,2,3,4-tetrahydroisoquinolin-2-ium Openeye Name: 2-[(3S)-1-[(3-pyrazol-1-ylphenyl)methyl]-3-piperidyl]-1,2,3,4-tetrahydroisoquinolin-2-ium CAS Name: 2-[(3S)-1-[[3-(1-pyrazolyl)phenyl]methyl]-3-piperidinyl]-1,2,3,4-tetrahydroisoquinolin-2-ium IUPAC Name: 2-[(3S)-1-[(3-pyrazol-1-ylphenyl)methyl]piperidin-3-yl]-1,2,3,4-tetrahydroisoquinolin-2-ium Traditional Name: 2-[(3S)-1-(3-pyrazol-1-ylbenzyl)-3-piperidyl]-1,2,3,4-tetrahydroisoquinolin-2-ium Formula: C24H29N4+ MolecularWeight: 373.51386

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)CC2=CC(=CC=C2)N3C=CC=N3)[NH+]4CCC5=CC=CC=C5C4

Isomeric SMILES

C1C[C@@H](CN(C1)CC2=CC(=CC=C2)N3C=CC=N3)[NH+]4CCC5=CC=CC=C5C4

InChI

InChI=1S/C24H28N4/c1-2-8-22-18-27(15-11-21(22)7-1)24-10-4-13-26(19-24)17-20-6-3-9-23(16-20)28-14-5-12-25-28/h1-3,5-9,12,14,16,24H,4,10-11,13,15,17-19H2/p+1/t24-/m0/s1