3-(icosanoylamino)propyl-methyl-[(2-oxidanylidenepyrrolidin-1-yl)methyl]-[(E)-2-phenylethenyl]azanium

Systemtic Name: 3-(icosanoylamino)propyl-methyl-[(2-oxidanylidenepyrrolidin-1-yl)methyl]-[(E)-2-phenylethenyl]azanium Openeye Name: 3-(icosanoylamino)propyl-methyl-[(2-oxopyrrolidin-1-yl)methyl]-[(E)-styryl]ammonium CAS Name: methyl-[3-(1-oxoeicosylamino)propyl]-[(2-oxo-1-pyrrolidinyl)methyl]-[(E)-2-phenylethenyl]ammonium IUPAC Name: 3-(icosanoylamino)propyl-methyl-[(2-oxopyrrolidin-1-yl)methyl]-[(E)-2-phenylethenyl]azanium Traditional Name: 3-(eicosanoylamino)propyl-[(2-ketopyrrolidino)methyl]-methyl-[(E)-styryl]ammonium Formula: C37H64N3O2+ MolecularWeight: 582.92296

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCC(=O)NCCC[N+](C)(CN1CCCC1=O)C=CC2=CC=CC=C2

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCC(=O)NCCC[N+](C)(CN1CCCC1=O)/C=C/C2=CC=CC=C2

InChI

InChI=1S/C37H63N3O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-27-36(41)38-30-24-32-40(2,34-39-31-23-28-37(39)42)33-29-35-25-20-19-21-26-35/h19-21,25-26,29,33H,3-18,22-24,27-28,30-32,34H2,1-2H3/p+1/b33-29+