5-nitro-8-[4-(thiophen-3-ylmethyl)piperazin-1-yl]quinoline

Systemtic Name: 5-nitro-8-[4-(thiophen-3-ylmethyl)piperazin-1-yl]quinoline Openeye Name: 5-nitro-8-[4-(3-thienylmethyl)piperazin-1-yl]quinoline CAS Name: 5-nitro-8-[4-(3-thiophenylmethyl)-1-piperazinyl]quinoline IUPAC Name: 5-nitro-8-[4-(thiophen-3-ylmethyl)piperazin-1-yl]quinoline Traditional Name: 5-nitro-8-[4-(3-thenyl)piperazino]quinoline Formula: C18H18N4O2S MolecularWeight: 354.42612

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CSC=C2)C3=C4C(=C(C=C3)[N+](=O)[O-])C=CC=N4

Isomeric SMILES

C1CN(CCN1CC2=CSC=C2)C3=C4C(=C(C=C3)[N+](=O)[O-])C=CC=N4

InChI

InChI=1S/C18H18N4O2S/c23-22(24)16-3-4-17(18-15(16)2-1-6-19-18)21-9-7-20(8-10-21)12-14-5-11-25-13-14/h1-6,11,13H,7-10,12H2