N-(3-methoxypropyl)-4-(5-nitropyridin-1-ium-2-yl)piperazine-1-carbothioamide

Systemtic Name: N-(3-methoxypropyl)-4-(5-nitropyridin-1-ium-2-yl)piperazine-1-carbothioamide Openeye Name: N-(3-methoxypropyl)-4-(5-nitropyridin-1-ium-2-yl)piperazine-1-carbothioamide CAS Name: N-(3-methoxypropyl)-4-(5-nitro-2-pyridin-1-iumyl)-1-piperazinecarbothioamide IUPAC Name: N-(3-methoxypropyl)-4-(5-nitropyridin-1-ium-2-yl)piperazine-1-carbothioamide Traditional Name: N-(3-methoxypropyl)-4-(5-nitropyridin-1-ium-2-yl)piperazine-1-carbothioamide Formula: C14H22N5O3S+ MolecularWeight: 340.42118

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Descriptors Computed from Structure

Canonical SMILES:

COCCCNC(=S)N1CCN(CC1)C2=[NH+]C=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

COCCCNC(=S)N1CCN(CC1)C2=[NH+]C=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C14H21N5O3S/c1-22-10-2-5-15-14(23)18-8-6-17(7-9-18)13-4-3-12(11-16-13)19(20)21/h3-4,11H,2,5-10H2,1H3,(H,15,23)/p+1