[(1S)-1-[2-(4-methylpiperazin-4-ium-1-yl)phenyl]ethyl]azanium

Systemtic Name: [(1S)-1-[2-(4-methylpiperazin-4-ium-1-yl)phenyl]ethyl]azanium Openeye Name: [(1S)-1-[2-(4-methylpiperazin-4-ium-1-yl)phenyl]ethyl]ammonium CAS Name: [(1S)-1-[2-(4-methyl-1-piperazin-4-iumyl)phenyl]ethyl]ammonium IUPAC Name: [(1S)-1-[2-(4-methylpiperazin-4-ium-1-yl)phenyl]ethyl]azanium Traditional Name: [(1S)-1-[2-(4-methylpiperazin-4-ium-1-yl)phenyl]ethyl]ammonium Formula: C13H23N3+2 MolecularWeight: 221.34182

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1N2CC[NH+](CC2)C)[NH3+]

Isomeric SMILES

C[C@@H](C1=CC=CC=C1N2CC[NH+](CC2)C)[NH3+]

InChI

InChI=1S/C13H21N3/c1-11(14)12-5-3-4-6-13(12)16-9-7-15(2)8-10-16/h3-6,11H,7-10,14H2,1-2H3/p+2/t11-/m0/s1