(4-bromophenyl)methyl-methyl-[2-oxidanylidene-2-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]amino]ethyl]azanium

Systemtic Name: (4-bromophenyl)methyl-methyl-[2-oxidanylidene-2-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]amino]ethyl]azanium Openeye Name: (4-bromophenyl)methyl-methyl-[2-oxo-2-[4-(pyrrolidin-1-ium-1-ylmethyl)anilino]ethyl]ammonium CAS Name: (4-bromophenyl)methyl-methyl-[2-oxo-2-[4-(1-pyrrolidin-1-iumylmethyl)anilino]ethyl]ammonium IUPAC Name: (4-bromophenyl)methyl-methyl-[2-oxo-2-[4-(pyrrolidin-1-ium-1-ylmethyl)anilino]ethyl]azanium Traditional Name: (4-bromobenzyl)-[2-keto-2-[4-(pyrrolidin-1-ium-1-ylmethyl)anilino]ethyl]-methyl-ammonium Formula: C21H28BrN3O+2 MolecularWeight: 418.37052

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC=C(C=C1)Br)CC(=O)NC2=CC=C(C=C2)C[NH+]3CCCC3

Isomeric SMILES

C[NH+](CC1=CC=C(C=C1)Br)CC(=O)NC2=CC=C(C=C2)C[NH+]3CCCC3

InChI

InChI=1S/C21H26BrN3O/c1-24(14-17-4-8-19(22)9-5-17)16-21(26)23-20-10-6-18(7-11-20)15-25-12-2-3-13-25/h4-11H,2-3,12-16H2,1H3,(H,23,26)/p+2