dodecyl-diethyl-[3-[4-[(5Z)-4-methyl-2-oxidanylidene-5-(phenylmethylidene)pyrrol-3-yl]phenoxy]propyl]azanium

Systemtic Name: dodecyl-diethyl-[3-[4-[(5Z)-4-methyl-2-oxidanylidene-5-(phenylmethylidene)pyrrol-3-yl]phenoxy]propyl]azanium Openeye Name: 3-[4-[(5Z)-5-benzylidene-4-methyl-2-oxo-pyrrol-3-yl]phenoxy]propyl-dodecyl-diethyl-ammonium CAS Name: dodecyl-diethyl-[3-[4-[(5Z)-4-methyl-2-oxo-5-(phenylmethylene)-3-pyrrolyl]phenoxy]propyl]ammonium IUPAC Name: 3-[4-[(5Z)-5-benzylidene-4-methyl-2-oxopyrrol-3-yl]phenoxy]propyl-dodecyl-diethylazanium Traditional Name: 3-[4-[(5Z)-5-benzal-2-keto-4-methyl-3-pyrrolin-3-yl]phenoxy]propyl-diethyl-lauryl-ammonium Formula: C37H55N2O2+ MolecularWeight: 559.8448

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC[N+](CC)(CC)CCCOC1=CC=C(C=C1)C2=C(C(=CC3=CC=CC=C3)NC2=O)C

Isomeric SMILES

CCCCCCCCCCCC[N+](CC)(CC)CCCOC1=CC=C(C=C1)C2=C(/C(=C/C3=CC=CC=C3)/NC2=O)C

InChI

InChI=1S/C37H54N2O2/c1-5-8-9-10-11-12-13-14-15-19-27-39(6-2,7-3)28-20-29-41-34-25-23-33(24-26-34)36-31(4)35(38-37(36)40)30-32-21-17-16-18-22-32/h16-18,21-26,30H,5-15,19-20,27-29H2,1-4H3/p+1/b35-30-