diethyl-heptyl-[(E)-4-(4-methoxycarbonylphenyl)but-2-enyl]azanium

Systemtic Name: diethyl-heptyl-[(E)-4-(4-methoxycarbonylphenyl)but-2-enyl]azanium Openeye Name: diethyl-heptyl-[(E)-4-(4-methoxycarbonylphenyl)but-2-enyl]ammonium CAS Name: diethyl-heptyl-[(E)-4-(4-methoxycarbonylphenyl)but-2-enyl]ammonium IUPAC Name: diethyl-heptyl-[(E)-4-(4-methoxycarbonylphenyl)but-2-enyl]azanium Traditional Name: [(E)-4-(4-carbomethoxyphenyl)but-2-enyl]-diethyl-heptyl-ammonium Formula: C23H38NO2+ MolecularWeight: 360.55332

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC[N+](CC)(CC)CC=CCC1=CC=C(C=C1)C(=O)OC

Isomeric SMILES

CCCCCCC[N+](CC)(CC)C/C=C/CC1=CC=C(C=C1)C(=O)OC

InChI

InChI=1S/C23H38NO2/c1-5-8-9-10-12-19-24(6-2,7-3)20-13-11-14-21-15-17-22(18-16-21)23(25)26-4/h11,13,15-18H,5-10,12,14,19-20H2,1-4H3/q+1/b13-11+