(3-chloranyl-6-nitro-1-benzothiophen-2-yl)-piperazin-4-ium-1-yl-methanone

Systemtic Name: (3-chloranyl-6-nitro-1-benzothiophen-2-yl)-piperazin-4-ium-1-yl-methanone Openeye Name: (3-chloro-6-nitro-benzothiophen-2-yl)-piperazin-4-ium-1-yl-methanone CAS Name: (3-chloro-6-nitro-1-benzothiophen-2-yl)-(1-piperazin-4-iumyl)methanone IUPAC Name: (3-chloro-6-nitro-1-benzothiophen-2-yl)-piperazin-4-ium-1-ylmethanone Traditional Name: (3-chloro-6-nitro-benzothiophen-2-yl)-piperazin-4-ium-1-yl-methanone Formula: C13H13ClN3O3S+ MolecularWeight: 326.77862

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH2+]1)C(=O)C2=C(C3=C(S2)C=C(C=C3)[N+](=O)[O-])Cl

Isomeric SMILES

C1CN(CC[NH2+]1)C(=O)C2=C(C3=C(S2)C=C(C=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C13H12ClN3O3S/c14-11-9-2-1-8(17(19)20)7-10(9)21-12(11)13(18)16-5-3-15-4-6-16/h1-2,7,15H,3-6H2/p+1