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

Systemtic Name: [1-(4-azanyl-3-methyl-phenyl)pyrrolidin-3-yl]-trimethyl-azanium; hexyl(dimethyl)azanium; dichloride Openeye Name: [1-(4-amino-3-methyl-phenyl)pyrrolidin-3-yl]-trimethyl-ammonium; hexyl(dimethyl)ammonium; dichloride CAS Name: [1-(4-amino-3-methylphenyl)-3-pyrrolidinyl]-trimethylammonium; hexyl(dimethyl)ammonium; dichloride IUPAC Name: [1-(4-amino-3-methylphenyl)pyrrolidin-3-yl]-trimethylazanium; hexyl(dimethyl)azanium; dichloride Traditional Name: [1-(4-amino-3-methyl-phenyl)pyrrolidin-3-yl]-trimethyl-ammonium; hexyl(dimethyl)ammonium; dichloride Formula: C22H44Cl2N4 MolecularWeight: 435.51756

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC[NH+](C)C.CC1=C(C=CC(=C1)N2CCC(C2)[N+](C)(C)C)N.[Cl-].[Cl-]

Isomeric SMILES

CCCCCC[NH+](C)C.CC1=C(C=CC(=C1)N2CCC(C2)[N+](C)(C)C)N.[Cl-].[Cl-]

InChI

InChI=1S/C14H24N3.C8H19N.2ClH/c1-11-9-12(5-6-14(11)15)16-8-7-13(10-16)17(2,3)4;1-4-5-6-7-8-9(2)3;;/h5-6,9,13H,7-8,10,15H2,1-4H3;4-8H2,1-3H3;2*1H/q+1;;;/p-1