2-[1-(dimethylcarbamoyl)-3-(phenylmethyl)piperazin-1-ium-1-yl]hexanoic acid

Systemtic Name: 2-[1-(dimethylcarbamoyl)-3-(phenylmethyl)piperazin-1-ium-1-yl]hexanoic acid Openeye Name: 2-[3-benzyl-1-(dimethylcarbamoyl)piperazin-1-ium-1-yl]hexanoic acid CAS Name: 2-[1-[dimethylamino(oxo)methyl]-3-(phenylmethyl)-1-piperazin-1-iumyl]hexanoic acid IUPAC Name: 2-[3-benzyl-1-(dimethylcarbamoyl)piperazin-1-ium-1-yl]hexanoic acid Traditional Name: 2-[3-benzyl-1-(dimethylcarbamoyl)piperazin-1-ium-1-yl]hexanoic acid Formula: C20H32N3O3+ MolecularWeight: 362.48638

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)O)[N+]1(CCNC(C1)CC2=CC=CC=C2)C(=O)N(C)C

Isomeric SMILES

CCCCC(C(=O)O)[N+]1(CCNC(C1)CC2=CC=CC=C2)C(=O)N(C)C

InChI

InChI=1S/C20H31N3O3/c1-4-5-11-18(19(24)25)23(20(26)22(2)3)13-12-21-17(15-23)14-16-9-7-6-8-10-16/h6-10,17-18,21H,4-5,11-15H2,1-3H3/p+1