3-chloranyl-5-cyclobutyl-aniline; ethyl-bis(2-hydroxyethyl)-prop-2-enyl-azanium; chloride

Systemtic Name: 3-chloranyl-5-cyclobutyl-aniline; ethyl-bis(2-hydroxyethyl)-prop-2-enyl-azanium; chloride Openeye Name: allyl-ethyl-bis(2-hydroxyethyl)ammonium; 3-chloro-5-cyclobutyl-aniline; chloride CAS Name: 3-chloro-5-cyclobutylaniline; ethyl-bis(2-hydroxyethyl)-prop-2-enylammonium; chloride IUPAC Name: 3-chloro-5-cyclobutylaniline; ethyl-bis(2-hydroxyethyl)-prop-2-enylazanium; chloride Traditional Name: allyl-ethyl-bis(2-hydroxyethyl)ammonium; (3-chloro-5-cyclobutyl-phenyl)amine; chloride Formula: C19H32Cl2N2O2 MolecularWeight: 391.37558

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[N+](CCO)(CCO)CC=C.C1CC(C1)C2=CC(=CC(=C2)Cl)N.[Cl-]

Isomeric SMILES

CC[N+](CCO)(CCO)CC=C.C1CC(C1)C2=CC(=CC(=C2)Cl)N.[Cl-]

InChI

InChI=1S/C10H12ClN.C9H20NO2.ClH/c11-9-4-8(5-10(12)6-9)7-2-1-3-7;1-3-5-10(4-2,6-8-11)7-9-12;/h4-7H,1-3,12H2;3,11-12H,1,4-9H2,2H3;1H/q;+1;/p-1