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

Systemtic Name: [(1S)-1-(4-bromophenyl)propyl]-[3-(4-methylpiperazin-4-ium-1-yl)propyl]azanium Openeye Name: [(1S)-1-(4-bromophenyl)propyl]-[3-(4-methylpiperazin-4-ium-1-yl)propyl]ammonium CAS Name: [(1S)-1-(4-bromophenyl)propyl]-[3-(4-methyl-1-piperazin-4-iumyl)propyl]ammonium IUPAC Name: [(1S)-1-(4-bromophenyl)propyl]-[3-(4-methylpiperazin-4-ium-1-yl)propyl]azanium Traditional Name: [(1S)-1-(4-bromophenyl)propyl]-[3-(4-methylpiperazin-4-ium-1-yl)propyl]ammonium Formula: C17H30BrN3+2 MolecularWeight: 356.3442

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H28BrN3/c1-3-17(15-5-7-16(18)8-6-15)19-9-4-10-21-13-11-20(2)12-14-21/h5-8,17,19H,3-4,9-14H2,1-2H3/p+2/t17-/m0/s1