2-[4-(hydroxymethyl)-4-methyl-piperazin-4-ium-1-yl]ethylsulfonyl-isocyanato-phenyl-oxidanium

Systemtic Name: 2-[4-(hydroxymethyl)-4-methyl-piperazin-4-ium-1-yl]ethylsulfonyl-isocyanato-phenyl-oxidanium Openeye Name: 2-[4-(hydroxymethyl)-4-methyl-piperazin-4-ium-1-yl]ethylsulfonyl-isocyanato-phenyl-oxonium CAS Name: 2-[4-(hydroxymethyl)-4-methyl-1-piperazin-4-iumyl]ethylsulfonyl-isocyanato-phenyloxonium IUPAC Name: 2-[4-(hydroxymethyl)-4-methylpiperazin-4-ium-1-yl]ethylsulfonyl-isocyanato-phenyloxidanium Traditional Name: isocyanato-[2-(4-methyl-4-methylol-piperazin-4-ium-1-yl)ethylsulfonyl]-phenyl-oxonium Formula: C15H23N3O5S+2 MolecularWeight: 357.42522

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCN(CC1)CCS(=O)(=O)[O+](C2=CC=CC=C2)N=C=O)CO

Isomeric SMILES

C[N+]1(CCN(CC1)CCS(=O)(=O)[O+](C2=CC=CC=C2)N=C=O)CO

InChI

InChI=1S/C15H23N3O5S/c1-18(14-20)10-7-17(8-11-18)9-12-24(21,22)23(16-13-19)15-5-3-2-4-6-15/h2-6,20H,7-12,14H2,1H3/q+2