2-[4-carbonochloridoyl-1-oxidanidyl-3-(phenylmethyl)piperazin-1-ium-1-yl]hexanoic acid

Systemtic Name: 2-[4-carbonochloridoyl-1-oxidanidyl-3-(phenylmethyl)piperazin-1-ium-1-yl]hexanoic acid Openeye Name: 2-(3-benzyl-4-chlorocarbonyl-1-oxido-piperazin-1-ium-1-yl)hexanoic acid CAS Name: 2-[4-carbonochloridoyl-1-oxido-3-(phenylmethyl)-1-piperazin-1-iumyl]hexanoic acid IUPAC Name: 2-(3-benzyl-4-carbonochloridoyl-1-oxidopiperazin-1-ium-1-yl)hexanoic acid Traditional Name: 2-(3-benzyl-4-chlorocarbonyl-1-oxido-piperazin-1-ium-1-yl)hexanoic acid Formula: C18H25ClN2O4 MolecularWeight: 368.8551

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)O)[N+]1(CCN(C(C1)CC2=CC=CC=C2)C(=O)Cl)[O-]

Isomeric SMILES

CCCCC(C(=O)O)[N+]1(CCN(C(C1)CC2=CC=CC=C2)C(=O)Cl)[O-]

InChI

InChI=1S/C18H25ClN2O4/c1-2-3-9-16(17(22)23)21(25)11-10-20(18(19)24)15(13-21)12-14-7-5-4-6-8-14/h4-8,15-16H,2-3,9-13H2,1H3,(H,22,23)