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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H21N3/c1-15-7-9-16(10-8-15)13(11-14)12-5-3-2-4-6-12/h2-6,13H,7-11,14H2,1H3/p+2/t13-/m1/s1