1-[4-[2-(1,3-benzodioxol-5-yl)ethyl]piperazin-1-yl]isoquinoline hydrochloride

Systemtic Name: 1-[4-[2-(1,3-benzodioxol-5-yl)ethyl]piperazin-1-yl]isoquinoline hydrochloride Openeye Name: 1-[4-[2-(1,3-benzodioxol-5-yl)ethyl]piperazin-1-yl]isoquinoline hydrochloride CAS Name: 1-[4-[2-(1,3-benzodioxol-5-yl)ethyl]-1-piperazinyl]isoquinoline hydrochloride IUPAC Name: 1-[4-[2-(1,3-benzodioxol-5-yl)ethyl]piperazin-1-yl]isoquinoline hydrochloride Traditional Name: 1-(4-homopiperonylpiperazino)isoquinoline hydrochloride Formula: C22H24ClN3O2 MolecularWeight: 397.89786

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCC2=CC3=C(C=C2)OCO3)C4=NC=CC5=CC=CC=C54.Cl

Isomeric SMILES

C1CN(CCN1CCC2=CC3=C(C=C2)OCO3)C4=NC=CC5=CC=CC=C54.Cl

InChI

InChI=1S/C22H23N3O2.ClH/c1-2-4-19-18(3-1)7-9-23-22(19)25-13-11-24(12-14-25)10-8-17-5-6-20-21(15-17)27-16-26-20;/h1-7,9,15H,8,10-14,16H2;1H