2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-1-phenothiazin-10-yl-ethanone hydrochloride

Systemtic Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-1-phenothiazin-10-yl-ethanone hydrochloride Openeye Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-1-phenothiazin-10-yl-ethanone hydrochloride CAS Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-1-(10-phenothiazinyl)ethanone hydrochloride IUPAC Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-1-phenothiazin-10-ylethanone hydrochloride Traditional Name: 1-phenothiazin-10-yl-2-(4-piperonylpiperazino)ethanone hydrochloride Formula: C26H26ClN3O3S MolecularWeight: 496.02094

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)CC(=O)N4C5=CC=CC=C5SC6=CC=CC=C64.Cl

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)CC(=O)N4C5=CC=CC=C5SC6=CC=CC=C64.Cl

InChI

InChI=1S/C26H25N3O3S.ClH/c30-26(29-20-5-1-3-7-24(20)33-25-8-4-2-6-21(25)29)17-28-13-11-27(12-14-28)16-19-9-10-22-23(15-19)32-18-31-22;/h1-10,15H,11-14,16-18H2;1H