1-(3-nitropyridin-1-ium-2-yl)-4-[(E)-2-phenylethenyl]sulfonyl-piperazine

Systemtic Name: 1-(3-nitropyridin-1-ium-2-yl)-4-[(E)-2-phenylethenyl]sulfonyl-piperazine Openeye Name: 1-(3-nitropyridin-1-ium-2-yl)-4-[(E)-styryl]sulfonyl-piperazine CAS Name: 1-(3-nitro-2-pyridin-1-iumyl)-4-[(E)-2-phenylethenyl]sulfonylpiperazine IUPAC Name: 1-(3-nitropyridin-1-ium-2-yl)-4-[(E)-2-phenylethenyl]sulfonylpiperazine Traditional Name: 1-(3-nitropyridin-1-ium-2-yl)-4-[(E)-styryl]sulfonyl-piperazine Formula: C17H19N4O4S+ MolecularWeight: 375.42216

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C=CC=[NH+]2)[N+](=O)[O-])S(=O)(=O)C=CC3=CC=CC=C3

Isomeric SMILES

C1CN(CCN1C2=C(C=CC=[NH+]2)[N+](=O)[O-])S(=O)(=O)/C=C/C3=CC=CC=C3

InChI

InChI=1S/C17H18N4O4S/c22-21(23)16-7-4-9-18-17(16)19-10-12-20(13-11-19)26(24,25)14-8-15-5-2-1-3-6-15/h1-9,14H,10-13H2/p+1/b14-8+