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

Systemtic Name: 4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitro-N-prop-2-ynyl-aniline Openeye Name: 4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitro-N-prop-2-ynyl-aniline CAS Name: 4-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]-2-nitro-N-prop-2-ynylaniline IUPAC Name: 4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitro-N-prop-2-ynylaniline Traditional Name: [4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitro-phenyl]-propargyl-amine Formula: C14H19N4O4S+ MolecularWeight: 339.39006

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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/C14H18N4O4S/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/h1,4-5,11,15H,6-10H2,2H3/p+1