1-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]-4-(thiophen-2-ylmethyl)piperazine

Systemtic Name: 1-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]-4-(thiophen-2-ylmethyl)piperazine Openeye Name: 1-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]-4-(2-thienylmethyl)piperazine CAS Name: 1-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]-4-(thiophen-2-ylmethyl)piperazine IUPAC Name: 1-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]-4-(thiophen-2-ylmethyl)piperazine Traditional Name: 1-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]-4-(2-thenyl)piperazine Formula: C18H21N3O4S MolecularWeight: 375.44204

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CS2)CC3=C4C(=CC(=C3)[N+](=O)[O-])COCO4

Isomeric SMILES

C1CN(CCN1CC2=CC=CS2)CC3=C4C(=CC(=C3)[N+](=O)[O-])COCO4

InChI

InChI=1S/C18H21N3O4S/c22-21(23)16-8-14(18-15(9-16)12-24-13-25-18)10-19-3-5-20(6-4-19)11-17-2-1-7-26-17/h1-2,7-9H,3-6,10-13H2