[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(4-methoxy-3-nitro-phenyl)methanone hydrochloride

Systemtic Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(4-methoxy-3-nitro-phenyl)methanone hydrochloride Openeye Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(4-methoxy-3-nitro-phenyl)methanone hydrochloride CAS Name: [4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-(4-methoxy-3-nitrophenyl)methanone hydrochloride IUPAC Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(4-methoxy-3-nitrophenyl)methanone hydrochloride Traditional Name: (4-methoxy-3-nitro-phenyl)-(4-piperonylpiperazino)methanone hydrochloride Formula: C20H22ClN3O6 MolecularWeight: 435.85818

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4)[N+](=O)[O-].Cl

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4)[N+](=O)[O-].Cl

InChI

InChI=1S/C20H21N3O6.ClH/c1-27-17-5-3-15(11-16(17)23(25)26)20(24)22-8-6-21(7-9-22)12-14-2-4-18-19(10-14)29-13-28-18;/h2-5,10-11H,6-9,12-13H2,1H3;1H