methyl 1-(3-piperazin-4-ium-1-ylsulfonylpropanoyl)piperidine-4-carboxylate

Systemtic Name: methyl 1-(3-piperazin-4-ium-1-ylsulfonylpropanoyl)piperidine-4-carboxylate Openeye Name: methyl 1-(3-piperazin-4-ium-1-ylsulfonylpropanoyl)piperidine-4-carboxylate CAS Name: 1-[1-oxo-3-(1-piperazin-4-iumylsulfonyl)propyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-(3-piperazin-4-ium-1-ylsulfonylpropanoyl)piperidine-4-carboxylate Traditional Name: 1-(3-piperazin-4-ium-1-ylsulfonylpropanoyl)isonipecotic acid methyl ester Formula: C14H26N3O5S+ MolecularWeight: 348.43834

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCN(CC1)C(=O)CCS(=O)(=O)N2CC[NH2+]CC2

Isomeric SMILES

COC(=O)C1CCN(CC1)C(=O)CCS(=O)(=O)N2CC[NH2+]CC2

InChI

InChI=1S/C14H25N3O5S/c1-22-14(19)12-2-7-16(8-3-12)13(18)4-11-23(20,21)17-9-5-15-6-10-17/h12,15H,2-11H2,1H3/p+1