aniline; (4-butoxyphenyl)-trimethyl-azanium; chloride

Systemtic Name: aniline; (4-butoxyphenyl)-trimethyl-azanium; chloride Openeye Name: aniline; (4-butoxyphenyl)-trimethyl-ammonium; chloride CAS Name: aniline; (4-butoxyphenyl)-trimethylammonium; chloride IUPAC Name: aniline; (4-butoxyphenyl)-trimethylazanium; chloride Traditional Name: (4-butoxyphenyl)-trimethyl-ammonium; phenylamine; chloride Formula: C19H29ClN2O MolecularWeight: 336.89936

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)[N+](C)(C)C.C1=CC=C(C=C1)N.[Cl-]

Isomeric SMILES

CCCCOC1=CC=C(C=C1)[N+](C)(C)C.C1=CC=C(C=C1)N.[Cl-]

InChI

InChI=1S/C13H22NO.C6H7N.ClH/c1-5-6-11-15-13-9-7-12(8-10-13)14(2,3)4;7-6-4-2-1-3-5-6;/h7-10H,5-6,11H2,1-4H3;1-5H,7H2;1H/q+1;;/p-1