2-phenyl-2-piperidin-3-yloxy-1-propylsulfonyl-piperazin-1-ium-1-carboxylic acid

Systemtic Name: 2-phenyl-2-piperidin-3-yloxy-1-propylsulfonyl-piperazin-1-ium-1-carboxylic acid Openeye Name: 2-phenyl-2-(3-piperidyloxy)-1-propylsulfonyl-piperazin-1-ium-1-carboxylic acid CAS Name: 2-phenyl-2-(3-piperidinyloxy)-1-propylsulfonyl-1-piperazin-1-iumcarboxylic acid IUPAC Name: 2-phenyl-2-piperidin-3-yloxy-1-propylsulfonylpiperazin-1-ium-1-carboxylic acid Traditional Name: 2-phenyl-2-(3-piperidyloxy)-1-propylsulfonyl-piperazin-1-ium-1-carboxylic acid Formula: C19H30N3O5S+ MolecularWeight: 412.5236

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Descriptors Computed from Structure

Canonical SMILES:

CCCS(=O)(=O)[N+]1(CCNCC1(C2=CC=CC=C2)OC3CCCNC3)C(=O)O

Isomeric SMILES

CCCS(=O)(=O)[N+]1(CCNCC1(C2=CC=CC=C2)OC3CCCNC3)C(=O)O

InChI

InChI=1S/C19H29N3O5S/c1-2-13-28(25,26)22(18(23)24)12-11-21-15-19(22,16-7-4-3-5-8-16)27-17-9-6-10-20-14-17/h3-5,7-8,17,20-21H,2,6,9-15H2,1H3/p+1