[(2S)-2-[(4-methylpiperazin-4-ium-1-yl)methyl]-3-phenyl-propyl]azanium

Systemtic Name: [(2S)-2-[(4-methylpiperazin-4-ium-1-yl)methyl]-3-phenyl-propyl]azanium Openeye Name: [(2S)-2-benzyl-3-(4-methylpiperazin-4-ium-1-yl)propyl]ammonium CAS Name: [(2S)-2-[(4-methyl-1-piperazin-4-iumyl)methyl]-3-phenylpropyl]ammonium IUPAC Name: [(2S)-2-benzyl-3-(4-methylpiperazin-4-ium-1-yl)propyl]azanium Traditional Name: [(2S)-2-benzyl-3-(4-methylpiperazin-4-ium-1-yl)propyl]ammonium Formula: C15H27N3+2 MolecularWeight: 249.39498

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)CC(CC2=CC=CC=C2)C[NH3+]

Isomeric SMILES

C[NH+]1CCN(CC1)C[C@@H](CC2=CC=CC=C2)C[NH3+]

InChI

InChI=1S/C15H25N3/c1-17-7-9-18(10-8-17)13-15(12-16)11-14-5-3-2-4-6-14/h2-6,15H,7-13,16H2,1H3/p+2/t15-/m0/s1