diethyl-heptyl-[(E)-4-[4-(methylcarbamoylamino)phenyl]but-2-enyl]azanium chloride

Systemtic Name: diethyl-heptyl-[(E)-4-[4-(methylcarbamoylamino)phenyl]but-2-enyl]azanium chloride Openeye Name: diethyl-heptyl-[(E)-4-[4-(methylcarbamoylamino)phenyl]but-2-enyl]ammonium chloride CAS Name: diethyl-heptyl-[(E)-4-[4-(methylcarbamoylamino)phenyl]but-2-enyl]ammonium chloride IUPAC Name: diethyl-heptyl-[(E)-4-[4-(methylcarbamoylamino)phenyl]but-2-enyl]azanium chloride Traditional Name: diethyl-heptyl-[(E)-4-[4-(methylcarbamoylamino)phenyl]but-2-enyl]ammonium chloride Formula: C23H40ClN3O MolecularWeight: 410.0362

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC[N+](CC)(CC)CC=CCC1=CC=C(C=C1)NC(=O)NC.[Cl-]

Isomeric SMILES

CCCCCCC[N+](CC)(CC)C/C=C/CC1=CC=C(C=C1)NC(=O)NC.[Cl-]

InChI

InChI=1S/C23H39N3O.ClH/c1-5-8-9-10-12-19-26(6-2,7-3)20-13-11-14-21-15-17-22(18-16-21)25-23(27)24-4;/h11,13,15-18H,5-10,12,14,19-20H2,1-4H3,(H-,24,25,27);1H/b13-11+;