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

Systemtic Name: 8-[4-(1-benzothiophen-3-ylmethyl)piperazin-4-ium-1-yl]-5-nitro-quinoline Openeye Name: 8-[4-(benzothiophen-3-ylmethyl)piperazin-4-ium-1-yl]-5-nitro-quinoline CAS Name: 8-[4-(1-benzothiophen-3-ylmethyl)-1-piperazin-4-iumyl]-5-nitroquinoline IUPAC Name: 8-[4-(1-benzothiophen-3-ylmethyl)piperazin-4-ium-1-yl]-5-nitroquinoline Traditional Name: 8-[4-(benzothiophen-3-ylmethyl)piperazin-4-ium-1-yl]-5-nitro-quinoline Formula: C22H21N4O2S+ MolecularWeight: 405.49274

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CSC3=CC=CC=C32)C4=C5C(=C(C=C4)[N+](=O)[O-])C=CC=N5

Isomeric SMILES

C1CN(CC[NH+]1CC2=CSC3=CC=CC=C32)C4=C5C(=C(C=C4)[N+](=O)[O-])C=CC=N5

InChI

InChI=1S/C22H20N4O2S/c27-26(28)19-7-8-20(22-18(19)5-3-9-23-22)25-12-10-24(11-13-25)14-16-15-29-21-6-2-1-4-17(16)21/h1-9,15H,10-14H2/p+1