2-[(2S)-1,4-dimethylpiperazin-4-ium-2-yl]ethyl-methyl-(phenylmethyl)azanium

Systemtic Name: 2-[(2S)-1,4-dimethylpiperazin-4-ium-2-yl]ethyl-methyl-(phenylmethyl)azanium Openeye Name: benzyl-[2-[(2S)-1,4-dimethylpiperazin-4-ium-2-yl]ethyl]-methyl-ammonium CAS Name: 2-[(2S)-1,4-dimethyl-2-piperazin-4-iumyl]ethyl-methyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[2-[(2S)-1,4-dimethylpiperazin-4-ium-2-yl]ethyl]-methylazanium Traditional Name: benzyl-[2-[(2S)-1,4-dimethylpiperazin-4-ium-2-yl]ethyl]-methyl-ammonium Formula: C16H29N3+2 MolecularWeight: 263.42156

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(C(C1)CC[NH+](C)CC2=CC=CC=C2)C

Isomeric SMILES

C[NH+]1CCN([C@H](C1)CC[NH+](C)CC2=CC=CC=C2)C

InChI

InChI=1S/C16H27N3/c1-17(13-15-7-5-4-6-8-15)10-9-16-14-18(2)11-12-19(16)3/h4-8,16H,9-14H2,1-3H3/p+2/t16-/m0/s1