[(1S)-1-(2-bromophenyl)ethyl]-[3-(4-methylpiperazin-4-ium-1-yl)propyl]azanium

Systemtic Name: [(1S)-1-(2-bromophenyl)ethyl]-[3-(4-methylpiperazin-4-ium-1-yl)propyl]azanium Openeye Name: [(1S)-1-(2-bromophenyl)ethyl]-[3-(4-methylpiperazin-4-ium-1-yl)propyl]ammonium CAS Name: [(1S)-1-(2-bromophenyl)ethyl]-[3-(4-methyl-1-piperazin-4-iumyl)propyl]ammonium IUPAC Name: [(1S)-1-(2-bromophenyl)ethyl]-[3-(4-methylpiperazin-4-ium-1-yl)propyl]azanium Traditional Name: [(1S)-1-(2-bromophenyl)ethyl]-[3-(4-methylpiperazin-4-ium-1-yl)propyl]ammonium Formula: C16H28BrN3+2 MolecularWeight: 342.31762

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1Br)[NH2+]CCCN2CC[NH+](CC2)C

Isomeric SMILES

C[C@@H](C1=CC=CC=C1Br)[NH2+]CCCN2CC[NH+](CC2)C

InChI

InChI=1S/C16H26BrN3/c1-14(15-6-3-4-7-16(15)17)18-8-5-9-20-12-10-19(2)11-13-20/h3-4,6-7,14,18H,5,8-13H2,1-2H3/p+2/t14-/m0/s1