4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitro-N-prop-2-enyl-aniline

Systemtic Name: 4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitro-N-prop-2-enyl-aniline Openeye Name: N-allyl-4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitro-aniline CAS Name: 4-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]-2-nitro-N-prop-2-enylaniline IUPAC Name: 4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitro-N-prop-2-enylaniline Traditional Name: allyl-[4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitro-phenyl]amine Formula: C14H21N4O4S+ MolecularWeight: 341.40594

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H20N4O4S/c1-3-6-15-13-5-4-12(11-14(13)18(19)20)23(21,22)17-9-7-16(2)8-10-17/h3-5,11,15H,1,6-10H2,2H3/p+1