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

Systemtic Name: 2-[(3S)-1-[(4-pyrazol-1-ylphenyl)methyl]piperidin-3-yl]-1,2,3,4-tetrahydroisoquinolin-2-ium Openeye Name: 2-[(3S)-1-[(4-pyrazol-1-ylphenyl)methyl]-3-piperidyl]-1,2,3,4-tetrahydroisoquinolin-2-ium CAS Name: 2-[(3S)-1-[[4-(1-pyrazolyl)phenyl]methyl]-3-piperidinyl]-1,2,3,4-tetrahydroisoquinolin-2-ium IUPAC Name: 2-[(3S)-1-[(4-pyrazol-1-ylphenyl)methyl]piperidin-3-yl]-1,2,3,4-tetrahydroisoquinolin-2-ium Traditional Name: 2-[(3S)-1-(4-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=C(C=C2)N3C=CC=N3)[NH+]4CCC5=CC=CC=C5C4

Isomeric SMILES

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

InChI

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