1-(5-nitropyridin-1-ium-2-yl)-4-(thiophen-3-ylmethyl)piperazin-4-ium

Systemtic Name: 1-(5-nitropyridin-1-ium-2-yl)-4-(thiophen-3-ylmethyl)piperazin-4-ium Openeye Name: 1-(5-nitropyridin-1-ium-2-yl)-4-(3-thienylmethyl)piperazin-4-ium CAS Name: 1-(5-nitro-2-pyridin-1-iumyl)-4-(3-thiophenylmethyl)piperazin-4-ium IUPAC Name: 1-(5-nitropyridin-1-ium-2-yl)-4-(thiophen-3-ylmethyl)piperazin-4-ium Traditional Name: 1-(5-nitropyridin-1-ium-2-yl)-4-(3-thenyl)piperazin-4-ium Formula: C14H18N4O2S+2 MolecularWeight: 306.38332

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H16N4O2S/c19-18(20)13-1-2-14(15-9-13)17-6-4-16(5-7-17)10-12-3-8-21-11-12/h1-3,8-9,11H,4-7,10H2/p+2