[4-[(6-nitroindazol-1-yl)methyl]piperazin-4-ium-1-yl]-thiophen-2-yl-methanone

Systemtic Name: [4-[(6-nitroindazol-1-yl)methyl]piperazin-4-ium-1-yl]-thiophen-2-yl-methanone Openeye Name: [4-[(6-nitroindazol-1-yl)methyl]piperazin-4-ium-1-yl]-(2-thienyl)methanone CAS Name: [4-[(6-nitro-1-indazolyl)methyl]-1-piperazin-4-iumyl]-thiophen-2-ylmethanone IUPAC Name: [4-[(6-nitroindazol-1-yl)methyl]piperazin-4-ium-1-yl]-thiophen-2-ylmethanone Traditional Name: [4-[(6-nitroindazol-1-yl)methyl]piperazin-4-ium-1-yl]-(2-thienyl)methanone Formula: C17H18N5O3S+ MolecularWeight: 372.42152

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CN2C3=C(C=CC(=C3)[N+](=O)[O-])C=N2)C(=O)C4=CC=CS4

Isomeric SMILES

C1CN(CC[NH+]1CN2C3=C(C=CC(=C3)[N+](=O)[O-])C=N2)C(=O)C4=CC=CS4

InChI

InChI=1S/C17H17N5O3S/c23-17(16-2-1-9-26-16)20-7-5-19(6-8-20)12-21-15-10-14(22(24)25)4-3-13(15)11-18-21/h1-4,9-11H,5-8,12H2/p+1