4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitro-N-[[(2R)-oxolan-2-yl]methyl]aniline

Systemtic Name: 4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitro-N-[[(2R)-oxolan-2-yl]methyl]aniline Openeye Name: 4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitro-N-[[(2R)-tetrahydrofuran-2-yl]methyl]aniline CAS Name: 4-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]-2-nitro-N-[[(2R)-2-oxolanyl]methyl]aniline IUPAC Name: 4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitro-N-[[(2R)-oxolan-2-yl]methyl]aniline Traditional Name: [4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitro-phenyl]-[[(2R)-tetrahydrofuran-2-yl]methyl]amine Formula: C16H25N4O5S+ MolecularWeight: 385.4585

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)NCC3CCCO3)[N+](=O)[O-]

Isomeric SMILES

C[NH+]1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)NC[C@H]3CCCO3)[N+](=O)[O-]

InChI

InChI=1S/C16H24N4O5S/c1-18-6-8-19(9-7-18)26(23,24)14-4-5-15(16(11-14)20(21)22)17-12-13-3-2-10-25-13/h4-5,11,13,17H,2-3,6-10,12H2,1H3/p+1/t13-/m1/s1