[4-[(3-nitrophenyl)methyl]piperazin-4-ium-1-yl]-thiophen-2-yl-methanone

Systemtic Name: [4-[(3-nitrophenyl)methyl]piperazin-4-ium-1-yl]-thiophen-2-yl-methanone Openeye Name: [4-[(3-nitrophenyl)methyl]piperazin-4-ium-1-yl]-(2-thienyl)methanone CAS Name: [4-[(3-nitrophenyl)methyl]-1-piperazin-4-iumyl]-thiophen-2-ylmethanone IUPAC Name: [4-[(3-nitrophenyl)methyl]piperazin-4-ium-1-yl]-thiophen-2-ylmethanone Traditional Name: [4-(3-nitrobenzyl)piperazin-4-ium-1-yl]-(2-thienyl)methanone Formula: C16H18N3O3S+ MolecularWeight: 332.39742

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC(=CC=C2)[N+](=O)[O-])C(=O)C3=CC=CS3

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC(=CC=C2)[N+](=O)[O-])C(=O)C3=CC=CS3

InChI

InChI=1S/C16H17N3O3S/c20-16(15-5-2-10-23-15)18-8-6-17(7-9-18)12-13-3-1-4-14(11-13)19(21)22/h1-5,10-11H,6-9,12H2/p+1