N-(3-chlorophenyl)carbamate; trimethyl(4-oxidanylbut-2-ynyl)azanium; hydrochloride

Systemtic Name: N-(3-chlorophenyl)carbamate; trimethyl(4-oxidanylbut-2-ynyl)azanium; hydrochloride Openeye Name: N-(3-chlorophenyl)carbamate; 4-hydroxybut-2-ynyl(trimethyl)ammonium; hydrochloride CAS Name: N-(3-chlorophenyl)carbamate; 4-hydroxybut-2-ynyl(trimethyl)ammonium; hydrochloride IUPAC Name: N-(3-chlorophenyl)carbamate; 4-hydroxybut-2-ynyl(trimethyl)azanium; hydrochloride Traditional Name: N-(3-chlorophenyl)carbamate; 4-hydroxybut-2-ynyl(trimethyl)ammonium; hydrochloride Formula: C14H20Cl2N2O3 MolecularWeight: 335.2262

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C)CC#CCO.C1=CC(=CC(=C1)Cl)NC(=O)[O-].Cl

Isomeric SMILES

C[N+](C)(C)CC#CCO.C1=CC(=CC(=C1)Cl)NC(=O)[O-].Cl

InChI

InChI=1S/C7H6ClNO2.C7H14NO.ClH/c8-5-2-1-3-6(4-5)9-7(10)11;1-8(2,3)6-4-5-7-9;/h1-4,9H,(H,10,11);9H,6-7H2,1-3H3;1H/q;+1;/p-1