[4-(4-methylpiperazin-4-ium-1-yl)carbonylphenyl] piperidine-1-sulfinate

Systemtic Name: [4-(4-methylpiperazin-4-ium-1-yl)carbonylphenyl] piperidine-1-sulfinate Openeye Name: [4-(4-methylpiperazin-4-ium-1-carbonyl)phenyl] piperidine-1-sulfinate CAS Name: 1-piperidinesulfinic acid [4-[(4-methyl-1-piperazin-4-iumyl)-oxomethyl]phenyl] ester IUPAC Name: [4-(4-methylpiperazin-4-ium-1-carbonyl)phenyl] piperidine-1-sulfinate Traditional Name: piperidine-1-sulfinic acid [4-(4-methylpiperazin-4-ium-1-carbonyl)phenyl] ester Formula: C17H26N3O3S+ MolecularWeight: 352.47164

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(=O)C2=CC=C(C=C2)OS(=O)N3CCCCC3

Isomeric SMILES

C[NH+]1CCN(CC1)C(=O)C2=CC=C(C=C2)O[S@](=O)N3CCCCC3

InChI

InChI=1S/C17H25N3O3S/c1-18-11-13-19(14-12-18)17(21)15-5-7-16(8-6-15)23-24(22)20-9-3-2-4-10-20/h5-8H,2-4,9-14H2,1H3/p+1/t24-/m0/s1