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

Systemtic Name: [1-(4-aminophenyl)pyrrolidin-3-yl]-trimethyl-azanium; hexyl(dimethyl)azanium Openeye Name: [1-(4-aminophenyl)pyrrolidin-3-yl]-trimethyl-ammonium; hexyl(dimethyl)ammonium CAS Name: [1-(4-aminophenyl)-3-pyrrolidinyl]-trimethylammonium; hexyl(dimethyl)ammonium IUPAC Name: [1-(4-aminophenyl)pyrrolidin-3-yl]-trimethylazanium; hexyl(dimethyl)azanium Traditional Name: [1-(4-aminophenyl)pyrrolidin-3-yl]-trimethyl-ammonium; hexyl(dimethyl)ammonium Formula: C21H42N4+2 MolecularWeight: 350.58498

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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

Isomeric SMILES

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

InChI

InChI=1S/C13H22N3.C8H19N/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/q+1;/p+1