16-[1-(4-aminophenyl)pyrrolidin-3-yl]hexadecyl-dimethyl-azanium

Systemtic Name: 16-[1-(4-aminophenyl)pyrrolidin-3-yl]hexadecyl-dimethyl-azanium Openeye Name: 16-[1-(4-aminophenyl)pyrrolidin-3-yl]hexadecyl-dimethyl-ammonium CAS Name: 16-[1-(4-aminophenyl)-3-pyrrolidinyl]hexadecyl-dimethylammonium IUPAC Name: 16-[1-(4-aminophenyl)pyrrolidin-3-yl]hexadecyl-dimethylazanium Traditional Name: 16-[1-(4-aminophenyl)pyrrolidin-3-yl]hexadecyl-dimethyl-ammonium Formula: C28H52N3+ MolecularWeight: 430.73258

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCCCCCCCCCCCCCCC1CCN(C1)C2=CC=C(C=C2)N

Isomeric SMILES

C[NH+](C)CCCCCCCCCCCCCCCCC1CCN(C1)C2=CC=C(C=C2)N

InChI

InChI=1S/C28H51N3/c1-30(2)23-16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-26-22-24-31(25-26)28-20-18-27(29)19-21-28/h18-21,26H,3-17,22-25,29H2,1-2H3/p+1