[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(5-bromanylfuran-2-yl)methanone hydrochloride

Systemtic Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(5-bromanylfuran-2-yl)methanone hydrochloride Openeye Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(5-bromo-2-furyl)methanone hydrochloride CAS Name: [4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-(5-bromo-2-furanyl)methanone hydrochloride IUPAC Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(5-bromofuran-2-yl)methanone hydrochloride Traditional Name: (5-bromo-2-furyl)-(4-piperonylpiperazino)methanone hydrochloride Formula: C17H18BrClN2O4 MolecularWeight: 429.69282

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)C4=CC=C(O4)Br.Cl

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)C4=CC=C(O4)Br.Cl

InChI

InChI=1S/C17H17BrN2O4.ClH/c18-16-4-3-14(24-16)17(21)20-7-5-19(6-8-20)10-12-1-2-13-15(9-12)23-11-22-13;/h1-4,9H,5-8,10-11H2;1H