dimethyl-(phenylmethyl)-propyl-azanium; 13-hexyl-5-oxidanyl-1-azacyclotridecan-2-one; chloride

Systemtic Name: dimethyl-(phenylmethyl)-propyl-azanium; 13-hexyl-5-oxidanyl-1-azacyclotridecan-2-one; chloride Openeye Name: benzyl-dimethyl-propyl-ammonium; 13-hexyl-5-hydroxy-azacyclotridecan-2-one; chloride CAS Name: dimethyl-(phenylmethyl)-propylammonium; 13-hexyl-5-hydroxy-azacyclotridecan-2-one; chloride IUPAC Name: benzyl-dimethyl-propylazanium; 13-hexyl-5-hydroxy-azacyclotridecan-2-one; chloride Traditional Name: benzyl-dimethyl-propyl-ammonium; 13-hexyl-5-hydroxy-azacyclotridecan-2-one; chloride Formula: C30H55ClN2O2 MolecularWeight: 511.2229

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1CCCCCCCC(CCC(=O)N1)O.CCC[N+](C)(C)CC1=CC=CC=C1.[Cl-]

Isomeric SMILES

CCCCCCC1CCCCCCCC(CCC(=O)N1)O.CCC[N+](C)(C)CC1=CC=CC=C1.[Cl-]

InChI

InChI=1S/C18H35NO2.C12H20N.ClH/c1-2-3-4-8-11-16-12-9-6-5-7-10-13-17(20)14-15-18(21)19-16;1-4-10-13(2,3)11-12-8-6-5-7-9-12;/h16-17,20H,2-15H2,1H3,(H,19,21);5-9H,4,10-11H2,1-3H3;1H/q;+1;/p-1