(3S,4S)-1-(1-benzothiophen-2-ylmethyl)-4-(4-pyridin-2-ylpiperazin-1-yl)pyrrolidin-3-ol

Systemtic Name: (3S,4S)-1-(1-benzothiophen-2-ylmethyl)-4-(4-pyridin-2-ylpiperazin-1-yl)pyrrolidin-3-ol Openeye Name: (3S,4S)-1-(benzothiophen-2-ylmethyl)-4-[4-(2-pyridyl)piperazin-1-yl]pyrrolidin-3-ol CAS Name: (3S,4S)-1-(1-benzothiophen-2-ylmethyl)-4-[4-(2-pyridinyl)-1-piperazinyl]-3-pyrrolidinol IUPAC Name: (3S,4S)-1-(1-benzothiophen-2-ylmethyl)-4-(4-pyridin-2-ylpiperazin-1-yl)pyrrolidin-3-ol Traditional Name: (3S,4S)-1-(benzothiophen-2-ylmethyl)-4-[4-(2-pyridyl)piperazino]pyrrolidin-3-ol Formula: C22H26N4OS MolecularWeight: 394.53304

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2CN(CC2O)CC3=CC4=CC=CC=C4S3)C5=CC=CC=N5

Isomeric SMILES

C1CN(CCN1[C@H]2CN(C[C@@H]2O)CC3=CC4=CC=CC=C4S3)C5=CC=CC=N5

InChI

InChI=1S/C22H26N4OS/c27-20-16-24(14-18-13-17-5-1-2-6-21(17)28-18)15-19(20)25-9-11-26(12-10-25)22-7-3-4-8-23-22/h1-8,13,19-20,27H,9-12,14-16H2/t19-,20-/m0/s1