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

Systemtic Name: [(1S)-3-(4-methylpiperazin-4-ium-1-yl)-1-phenyl-propyl]azanium Openeye Name: [(1S)-3-(4-methylpiperazin-4-ium-1-yl)-1-phenyl-propyl]ammonium CAS Name: [(1S)-3-(4-methyl-1-piperazin-4-iumyl)-1-phenylpropyl]ammonium IUPAC Name: [(1S)-3-(4-methylpiperazin-4-ium-1-yl)-1-phenylpropyl]azanium Traditional Name: [(1S)-3-(4-methylpiperazin-4-ium-1-yl)-1-phenyl-propyl]ammonium Formula: C14H25N3+2 MolecularWeight: 235.3684

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)CCC(C2=CC=CC=C2)[NH3+]

Isomeric SMILES

C[NH+]1CCN(CC1)CC[C@@H](C2=CC=CC=C2)[NH3+]

InChI

InChI=1S/C14H23N3/c1-16-9-11-17(12-10-16)8-7-14(15)13-5-3-2-4-6-13/h2-6,14H,7-12,15H2,1H3/p+2/t14-/m0/s1