[(E)-4-[bis(phenylmethyl)azaniumyl]but-2-enyl]-dimethyl-phenacyl-azanium

Systemtic Name: [(E)-4-[bis(phenylmethyl)azaniumyl]but-2-enyl]-dimethyl-phenacyl-azanium Openeye Name: [(E)-4-(dibenzylammonio)but-2-enyl]-dimethyl-phenacyl-ammonium CAS Name: [(E)-4-[bis(phenylmethyl)ammonio]but-2-enyl]-dimethyl-phenacylammonium IUPAC Name: [(E)-4-(dibenzylazaniumyl)but-2-enyl]-dimethyl-phenacylazanium Traditional Name: [(E)-4-(dibenzylammonio)but-2-enyl]-dimethyl-phenacyl-ammonium Formula: C28H34N2O+2 MolecularWeight: 414.58236

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(CC=CC[NH+](CC1=CC=CC=C1)CC2=CC=CC=C2)CC(=O)C3=CC=CC=C3

Isomeric SMILES

C[N+](C)(C/C=C/C[NH+](CC1=CC=CC=C1)CC2=CC=CC=C2)CC(=O)C3=CC=CC=C3

InChI

InChI=1S/C28H33N2O/c1-30(2,24-28(31)27-18-10-5-11-19-27)21-13-12-20-29(22-25-14-6-3-7-15-25)23-26-16-8-4-9-17-26/h3-19H,20-24H2,1-2H3/q+1/p+1/b13-12+