(4-bromophenyl)methyl-[2-[(1-cyanocyclopentyl)amino]-2-oxidanylidene-ethyl]-methyl-azanium

Systemtic Name: (4-bromophenyl)methyl-[2-[(1-cyanocyclopentyl)amino]-2-oxidanylidene-ethyl]-methyl-azanium Openeye Name: (4-bromophenyl)methyl-[2-[(1-cyanocyclopentyl)amino]-2-oxo-ethyl]-methyl-ammonium CAS Name: (4-bromophenyl)methyl-[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl]-methylammonium IUPAC Name: (4-bromophenyl)methyl-[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl]-methylazanium Traditional Name: (4-bromobenzyl)-[2-[(1-cyanocyclopentyl)amino]-2-keto-ethyl]-methyl-ammonium Formula: C16H21BrN3O+ MolecularWeight: 351.26144

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC=C(C=C1)Br)CC(=O)NC2(CCCC2)C#N

Isomeric SMILES

C[NH+](CC1=CC=C(C=C1)Br)CC(=O)NC2(CCCC2)C#N

InChI

InChI=1S/C16H20BrN3O/c1-20(10-13-4-6-14(17)7-5-13)11-15(21)19-16(12-18)8-2-3-9-16/h4-7H,2-3,8-11H2,1H3,(H,19,21)/p+1