[1-(4-azanyl-3-methyl-phenyl)pyrrolidin-3-yl]-dimethyl-tetradecyl-azanium chloride

Systemtic Name: [1-(4-azanyl-3-methyl-phenyl)pyrrolidin-3-yl]-dimethyl-tetradecyl-azanium chloride Openeye Name: [1-(4-amino-3-methyl-phenyl)pyrrolidin-3-yl]-dimethyl-tetradecyl-ammonium chloride CAS Name: [1-(4-amino-3-methylphenyl)-3-pyrrolidinyl]-dimethyl-tetradecylammonium chloride IUPAC Name: [1-(4-amino-3-methylphenyl)pyrrolidin-3-yl]-dimethyl-tetradecylazanium chloride Traditional Name: [1-(4-amino-3-methyl-phenyl)pyrrolidin-3-yl]-dimethyl-myristyl-ammonium chloride Formula: C27H50ClN3 MolecularWeight: 452.159

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC[N+](C)(C)C1CCN(C1)C2=CC(=C(C=C2)N)C.[Cl-]

Isomeric SMILES

CCCCCCCCCCCCCC[N+](C)(C)C1CCN(C1)C2=CC(=C(C=C2)N)C.[Cl-]

InChI

InChI=1S/C27H50N3.ClH/c1-5-6-7-8-9-10-11-12-13-14-15-16-21-30(3,4)26-19-20-29(23-26)25-17-18-27(28)24(2)22-25;/h17-18,22,26H,5-16,19-21,23,28H2,1-4H3;1H/q+1;/p-1