[1-(4-aminophenyl)pyrrolidin-3-yl]-hexadecyl-dimethyl-azanium

Systemtic Name: [1-(4-aminophenyl)pyrrolidin-3-yl]-hexadecyl-dimethyl-azanium Openeye Name: [1-(4-aminophenyl)pyrrolidin-3-yl]-hexadecyl-dimethyl-ammonium CAS Name: [1-(4-aminophenyl)-3-pyrrolidinyl]-hexadecyl-dimethylammonium IUPAC Name: [1-(4-aminophenyl)pyrrolidin-3-yl]-hexadecyl-dimethylazanium Traditional Name: [1-(4-aminophenyl)pyrrolidin-3-yl]-cetyl-dimethyl-ammonium Formula: C28H52N3+ MolecularWeight: 430.73258

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC[N+](C)(C)C1CCN(C1)C2=CC=C(C=C2)N

Isomeric SMILES

CCCCCCCCCCCCCCCC[N+](C)(C)C1CCN(C1)C2=CC=C(C=C2)N

InChI

InChI=1S/C28H52N3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-24-31(2,3)28-22-23-30(25-28)27-20-18-26(29)19-21-27/h18-21,28H,4-17,22-25,29H2,1-3H3/q+1