N-(3-chlorophenyl)carbamate; trimethyl-[(E)-4-oxidanylbut-2-enyl]azanium; hydrochloride

Systemtic Name: N-(3-chlorophenyl)carbamate; trimethyl-[(E)-4-oxidanylbut-2-enyl]azanium; hydrochloride Openeye Name: N-(3-chlorophenyl)carbamate; [(E)-4-hydroxybut-2-enyl]-trimethyl-ammonium; hydrochloride CAS Name: N-(3-chlorophenyl)carbamate; [(E)-4-hydroxybut-2-enyl]-trimethylammonium; hydrochloride IUPAC Name: N-(3-chlorophenyl)carbamate; [(E)-4-hydroxybut-2-enyl]-trimethylazanium; hydrochloride Traditional Name: N-(3-chlorophenyl)carbamate; [(E)-4-hydroxybut-2-enyl]-trimethyl-ammonium; hydrochloride Formula: C14H22Cl2N2O3 MolecularWeight: 337.24208

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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)C/C=C/CO.C1=CC(=CC(=C1)Cl)NC(=O)[O-].Cl

InChI

InChI=1S/C7H6ClNO2.C7H16NO.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);4-5,9H,6-7H2,1-3H3;1H/q;+1;/p-1/b;5-4+;