[3-[1-(4-aminophenyl)pyrrolidin-3-yl]-2-methyl-pentadecan-2-yl]azanium bromide

Systemtic Name: [3-[1-(4-aminophenyl)pyrrolidin-3-yl]-2-methyl-pentadecan-2-yl]azanium bromide Openeye Name: [2-[1-(4-aminophenyl)pyrrolidin-3-yl]-1,1-dimethyl-tetradecyl]ammonium bromide CAS Name: [3-[1-(4-aminophenyl)-3-pyrrolidinyl]-2-methylpentadecan-2-yl]ammonium bromide IUPAC Name: [3-[1-(4-aminophenyl)pyrrolidin-3-yl]-2-methylpentadecan-2-yl]azanium bromide Traditional Name: [2-[1-(4-aminophenyl)pyrrolidin-3-yl]-1,1-dimethyl-tetradecyl]ammonium bromide Formula: C26H48BrN3 MolecularWeight: 482.58342

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC(C1CCN(C1)C2=CC=C(C=C2)N)C(C)(C)[NH3+].[Br-]

Isomeric SMILES

CCCCCCCCCCCCC(C1CCN(C1)C2=CC=C(C=C2)N)C(C)(C)[NH3+].[Br-]

InChI

InChI=1S/C26H47N3.BrH/c1-4-5-6-7-8-9-10-11-12-13-14-25(26(2,3)28)22-19-20-29(21-22)24-17-15-23(27)16-18-24;/h15-18,22,25H,4-14,19-21,27-28H2,1-3H3;1H