(5-bromanylthiophen-2-yl)methyl-methyl-[2-oxidanylidene-2-(3-phenylpropylamino)ethyl]azanium

Systemtic Name: (5-bromanylthiophen-2-yl)methyl-methyl-[2-oxidanylidene-2-(3-phenylpropylamino)ethyl]azanium Openeye Name: (5-bromo-2-thienyl)methyl-methyl-[2-oxo-2-(3-phenylpropylamino)ethyl]ammonium CAS Name: (5-bromo-2-thiophenyl)methyl-methyl-[2-oxo-2-(3-phenylpropylamino)ethyl]ammonium IUPAC Name: (5-bromothiophen-2-yl)methyl-methyl-[2-oxo-2-(3-phenylpropylamino)ethyl]azanium Traditional Name: (5-bromo-2-thienyl)methyl-[2-keto-2-(3-phenylpropylamino)ethyl]-methyl-ammonium Formula: C17H22BrN2OS+ MolecularWeight: 382.33838

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC=C(S1)Br)CC(=O)NCCCC2=CC=CC=C2

Isomeric SMILES

C[NH+](CC1=CC=C(S1)Br)CC(=O)NCCCC2=CC=CC=C2

InChI

InChI=1S/C17H21BrN2OS/c1-20(12-15-9-10-16(18)22-15)13-17(21)19-11-5-8-14-6-3-2-4-7-14/h2-4,6-7,9-10H,5,8,11-13H2,1H3,(H,19,21)/p+1