(2-bromophenyl)methyl-methyl-[2-oxidanylidene-2-[4-(phenylcarbamoyl)piperidin-1-yl]ethyl]azanium

Systemtic Name: (2-bromophenyl)methyl-methyl-[2-oxidanylidene-2-[4-(phenylcarbamoyl)piperidin-1-yl]ethyl]azanium Openeye Name: (2-bromophenyl)methyl-methyl-[2-oxo-2-[4-(phenylcarbamoyl)-1-piperidyl]ethyl]ammonium CAS Name: [2-[4-[anilino(oxo)methyl]-1-piperidinyl]-2-oxoethyl]-[(2-bromophenyl)methyl]-methylammonium IUPAC Name: (2-bromophenyl)methyl-methyl-[2-oxo-2-[4-(phenylcarbamoyl)piperidin-1-yl]ethyl]azanium Traditional Name: (2-bromobenzyl)-[2-keto-2-[4-(phenylcarbamoyl)piperidino]ethyl]-methyl-ammonium Formula: C22H27BrN3O2+ MolecularWeight: 445.37268

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC=CC=C1Br)CC(=O)N2CCC(CC2)C(=O)NC3=CC=CC=C3

Isomeric SMILES

C[NH+](CC1=CC=CC=C1Br)CC(=O)N2CCC(CC2)C(=O)NC3=CC=CC=C3

InChI

InChI=1S/C22H26BrN3O2/c1-25(15-18-7-5-6-10-20(18)23)16-21(27)26-13-11-17(12-14-26)22(28)24-19-8-3-2-4-9-19/h2-10,17H,11-16H2,1H3,(H,24,28)/p+1