8-nitro-5-[4-(thiophen-2-ylmethyl)piperazin-4-ium-1-yl]isoquinoline

Systemtic Name: 8-nitro-5-[4-(thiophen-2-ylmethyl)piperazin-4-ium-1-yl]isoquinoline Openeye Name: 8-nitro-5-[4-(2-thienylmethyl)piperazin-4-ium-1-yl]isoquinoline CAS Name: 8-nitro-5-[4-(thiophen-2-ylmethyl)-1-piperazin-4-iumyl]isoquinoline IUPAC Name: 8-nitro-5-[4-(thiophen-2-ylmethyl)piperazin-4-ium-1-yl]isoquinoline Traditional Name: 8-nitro-5-[4-(2-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=CC=CS2)C3=C4C=CN=CC4=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CS2)C3=C4C=CN=CC4=C(C=C3)[N+](=O)[O-]

InChI

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