1-(3-nitrophenyl)sulfonyl-4-prop-2-enyl-piperazin-4-ium

Systemtic Name: 1-(3-nitrophenyl)sulfonyl-4-prop-2-enyl-piperazin-4-ium Openeye Name: 1-allyl-4-(3-nitrophenyl)sulfonyl-piperazin-1-ium CAS Name: 1-(3-nitrophenyl)sulfonyl-4-prop-2-enylpiperazin-4-ium IUPAC Name: 1-(3-nitrophenyl)sulfonyl-4-prop-2-enylpiperazin-4-ium Traditional Name: 1-allyl-4-(3-nitrophenyl)sulfonyl-piperazin-1-ium Formula: C13H18N3O4S+ MolecularWeight: 312.36472

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Descriptors Computed from Structure

Canonical SMILES:

C=CC[NH+]1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)[N+](=O)[O-]

Isomeric SMILES

C=CC[NH+]1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)[N+](=O)[O-]

InChI

InChI=1S/C13H17N3O4S/c1-2-6-14-7-9-15(10-8-14)21(19,20)13-5-3-4-12(11-13)16(17)18/h2-5,11H,1,6-10H2/p+1