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

Systemtic Name: [(1S)-1-(3-bromophenyl)ethyl]-[3-(4-methylpiperazin-4-ium-1-yl)propyl]azanium Openeye Name: [(1S)-1-(3-bromophenyl)ethyl]-[3-(4-methylpiperazin-4-ium-1-yl)propyl]ammonium CAS Name: [(1S)-1-(3-bromophenyl)ethyl]-[3-(4-methyl-1-piperazin-4-iumyl)propyl]ammonium IUPAC Name: [(1S)-1-(3-bromophenyl)ethyl]-[3-(4-methylpiperazin-4-ium-1-yl)propyl]azanium Traditional Name: [(1S)-1-(3-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=C1)Br)[NH2+]CCCN2CC[NH+](CC2)C

Isomeric SMILES

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

InChI

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