[1-(4-aminophenyl)pyrrolidin-3-yl]-trimethyl-azanium; hexyl(dimethyl)azanium; dichloride

Systemtic Name: [1-(4-aminophenyl)pyrrolidin-3-yl]-trimethyl-azanium; hexyl(dimethyl)azanium; dichloride Openeye Name: [1-(4-aminophenyl)pyrrolidin-3-yl]-trimethyl-ammonium; hexyl(dimethyl)ammonium; dichloride CAS Name: [1-(4-aminophenyl)-3-pyrrolidinyl]-trimethylammonium; hexyl(dimethyl)ammonium; dichloride IUPAC Name: [1-(4-aminophenyl)pyrrolidin-3-yl]-trimethylazanium; hexyl(dimethyl)azanium; dichloride Traditional Name: [1-(4-aminophenyl)pyrrolidin-3-yl]-trimethyl-ammonium; hexyl(dimethyl)ammonium; dichloride Formula: C21H42Cl2N4 MolecularWeight: 421.49098

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H22N3.C8H19N.2ClH/c1-16(2,3)13-8-9-15(10-13)12-6-4-11(14)5-7-12;1-4-5-6-7-8-9(2)3;;/h4-7,13H,8-10,14H2,1-3H3;4-8H2,1-3H3;2*1H/q+1;;;/p-1