[(1S)-1-(3-bromophenyl)ethyl]-(3-piperidin-1-ium-1-ylpropyl)azanium

Systemtic Name: [(1S)-1-(3-bromophenyl)ethyl]-(3-piperidin-1-ium-1-ylpropyl)azanium Openeye Name: [(1S)-1-(3-bromophenyl)ethyl]-(3-piperidin-1-ium-1-ylpropyl)ammonium CAS Name: [(1S)-1-(3-bromophenyl)ethyl]-[3-(1-piperidin-1-iumyl)propyl]ammonium IUPAC Name: [(1S)-1-(3-bromophenyl)ethyl]-(3-piperidin-1-ium-1-ylpropyl)azanium Traditional Name: [(1S)-1-(3-bromophenyl)ethyl]-(3-piperidin-1-ium-1-ylpropyl)ammonium Formula: C16H27BrN2+2 MolecularWeight: 327.30298

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC(=CC=C1)Br)[NH2+]CCC[NH+]2CCCCC2

Isomeric SMILES

C[C@@H](C1=CC(=CC=C1)Br)[NH2+]CCC[NH+]2CCCCC2

InChI

InChI=1S/C16H25BrN2/c1-14(15-7-5-8-16(17)13-15)18-9-6-12-19-10-3-2-4-11-19/h5,7-8,13-14,18H,2-4,6,9-12H2,1H3/p+2/t14-/m0/s1