14-(hexanoylamino)tetradecyl-methyl-[(2-oxidanylidenepyrrolidin-1-yl)methyl]-(phenylmethyl)azanium

Systemtic Name: 14-(hexanoylamino)tetradecyl-methyl-[(2-oxidanylidenepyrrolidin-1-yl)methyl]-(phenylmethyl)azanium Openeye Name: benzyl-[14-(hexanoylamino)tetradecyl]-methyl-[(2-oxopyrrolidin-1-yl)methyl]ammonium CAS Name: methyl-[14-(1-oxohexylamino)tetradecyl]-[(2-oxo-1-pyrrolidinyl)methyl]-(phenylmethyl)ammonium IUPAC Name: benzyl-[14-(hexanoylamino)tetradecyl]-methyl-[(2-oxopyrrolidin-1-yl)methyl]azanium Traditional Name: benzyl-[14-(caproylamino)tetradecyl]-[(2-ketopyrrolidino)methyl]-methyl-ammonium Formula: C33H58N3O2+ MolecularWeight: 528.83252

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)NCCCCCCCCCCCCCC[N+](C)(CC1=CC=CC=C1)CN2CCCC2=O

Isomeric SMILES

CCCCCC(=O)NCCCCCCCCCCCCCC[N+](C)(CC1=CC=CC=C1)CN2CCCC2=O

InChI

InChI=1S/C33H57N3O2/c1-3-4-16-24-32(37)34-26-19-13-11-9-7-5-6-8-10-12-14-20-28-36(2,29-31-22-17-15-18-23-31)30-35-27-21-25-33(35)38/h15,17-18,22-23H,3-14,16,19-21,24-30H2,1-2H3/p+1