2-[4-(4-azanyl-3-bromanyl-phenyl)hexanoyl-phenyl-amino]ethyl-methyl-bis(prop-2-enyl)azanium chloride

Systemtic Name: 2-[4-(4-azanyl-3-bromanyl-phenyl)hexanoyl-phenyl-amino]ethyl-methyl-bis(prop-2-enyl)azanium chloride Openeye Name: diallyl-[2-[N-[4-(4-amino-3-bromo-phenyl)hexanoyl]anilino]ethyl]-methyl-ammonium chloride CAS Name: 2-(N-[4-(4-amino-3-bromophenyl)-1-oxohexyl]anilino)ethyl-methyl-bis(prop-2-enyl)ammonium chloride IUPAC Name: 2-[N-[4-(4-amino-3-bromophenyl)hexanoyl]anilino]ethyl-methyl-bis(prop-2-enyl)azanium chloride Traditional Name: diallyl-[2-[N-[4-(4-amino-3-bromo-phenyl)hexanoyl]anilino]ethyl]-methyl-ammonium chloride Formula: C27H37BrClN3O MolecularWeight: 534.95918

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CCC(=O)N(CC[N+](C)(CC=C)CC=C)C1=CC=CC=C1)C2=CC(=C(C=C2)N)Br.[Cl-]

Isomeric SMILES

CCC(CCC(=O)N(CC[N+](C)(CC=C)CC=C)C1=CC=CC=C1)C2=CC(=C(C=C2)N)Br.[Cl-]

InChI

InChI=1S/C27H37BrN3O.ClH/c1-5-18-31(4,19-6-2)20-17-30(24-11-9-8-10-12-24)27(32)16-14-22(7-3)23-13-15-26(29)25(28)21-23;/h5-6,8-13,15,21-22H,1-2,7,14,16-20,29H2,3-4H3;1H/q+1;/p-1