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

Systemtic Name: 8-nitro-5-[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-yl]isoquinoline Openeye Name: 8-nitro-5-[4-(3-thienylmethyl)piperazin-4-ium-1-yl]isoquinoline CAS Name: 8-nitro-5-[4-(3-thiophenylmethyl)-1-piperazin-4-iumyl]isoquinoline IUPAC Name: 8-nitro-5-[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-yl]isoquinoline Traditional Name: 8-nitro-5-[4-(3-thenyl)piperazin-4-ium-1-yl]isoquinoline Formula: C18H19N4O2S+ MolecularWeight: 355.43406

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CSC=C2)C3=C4C=CN=CC4=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1CN(CC[NH+]1CC2=CSC=C2)C3=C4C=CN=CC4=C(C=C3)[N+](=O)[O-]

InChI

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