[5-acetamido-2-(4-bromophenyl)carbonyloxy-phenyl]methyl-diethyl-prop-2-enyl-azanium

Systemtic Name: [5-acetamido-2-(4-bromophenyl)carbonyloxy-phenyl]methyl-diethyl-prop-2-enyl-azanium Openeye Name: [5-acetamido-2-(4-bromobenzoyl)oxy-phenyl]methyl-allyl-diethyl-ammonium CAS Name: [5-acetamido-2-[(4-bromophenyl)-oxomethoxy]phenyl]methyl-diethyl-prop-2-enylammonium IUPAC Name: [5-acetamido-2-(4-bromobenzoyl)oxyphenyl]methyl-diethyl-prop-2-enylazanium Traditional Name: [5-acetamido-2-(4-bromobenzoyl)oxy-benzyl]-allyl-diethyl-ammonium Formula: C23H28BrN2O3+ MolecularWeight: 460.38402

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+](CC)(CC=C)CC1=C(C=CC(=C1)NC(=O)C)OC(=O)C2=CC=C(C=C2)Br

Isomeric SMILES

CC[N+](CC)(CC=C)CC1=C(C=CC(=C1)NC(=O)C)OC(=O)C2=CC=C(C=C2)Br

InChI

InChI=1S/C23H27BrN2O3/c1-5-14-26(6-2,7-3)16-19-15-21(25-17(4)27)12-13-22(19)29-23(28)18-8-10-20(24)11-9-18/h5,8-13,15H,1,6-7,14,16H2,2-4H3/p+1