N,N-dimethyl-4-[(2S)-2-oxidanyl-3-(4-propanoylphenoxy)propyl]piperazin-4-ium-1-sulfonamide

Systemtic Name: N,N-dimethyl-4-[(2S)-2-oxidanyl-3-(4-propanoylphenoxy)propyl]piperazin-4-ium-1-sulfonamide Openeye Name: 4-[(2S)-2-hydroxy-3-(4-propanoylphenoxy)propyl]-N,N-dimethyl-piperazin-4-ium-1-sulfonamide CAS Name: 4-[(2S)-2-hydroxy-3-[4-(1-oxopropyl)phenoxy]propyl]-N,N-dimethyl-1-piperazin-4-iumsulfonamide IUPAC Name: 4-[(2S)-2-hydroxy-3-(4-propanoylphenoxy)propyl]-N,N-dimethylpiperazin-4-ium-1-sulfonamide Traditional Name: 4-[(2S)-2-hydroxy-3-(4-propionylphenoxy)propyl]-N,N-dimethyl-piperazin-4-ium-1-sulfonamide Formula: C18H30N3O5S+ MolecularWeight: 400.5129

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1=CC=C(C=C1)OCC(C[NH+]2CCN(CC2)S(=O)(=O)N(C)C)O

Isomeric SMILES

CCC(=O)C1=CC=C(C=C1)OC[C@H](C[NH+]2CCN(CC2)S(=O)(=O)N(C)C)O

InChI

InChI=1S/C18H29N3O5S/c1-4-18(23)15-5-7-17(8-6-15)26-14-16(22)13-20-9-11-21(12-10-20)27(24,25)19(2)3/h5-8,16,22H,4,9-14H2,1-3H3/p+1/t16-/m0/s1