[(1S)-1-(3,4-dimethylphenyl)-2-piperazin-4-ium-1-yl-ethyl]-dimethyl-azanium

Systemtic Name: [(1S)-1-(3,4-dimethylphenyl)-2-piperazin-4-ium-1-yl-ethyl]-dimethyl-azanium Openeye Name: [(1S)-1-(3,4-dimethylphenyl)-2-piperazin-4-ium-1-yl-ethyl]-dimethyl-ammonium CAS Name: [(1S)-1-(3,4-dimethylphenyl)-2-(1-piperazin-4-iumyl)ethyl]-dimethylammonium IUPAC Name: [(1S)-1-(3,4-dimethylphenyl)-2-piperazin-4-ium-1-ylethyl]-dimethylazanium Traditional Name: [(1S)-1-(3,4-dimethylphenyl)-2-piperazin-4-ium-1-yl-ethyl]-dimethyl-ammonium Formula: C16H29N3+2 MolecularWeight: 263.42156

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(CN2CC[NH2+]CC2)[NH+](C)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)[C@@H](CN2CC[NH2+]CC2)[NH+](C)C)C

InChI

InChI=1S/C16H27N3/c1-13-5-6-15(11-14(13)2)16(18(3)4)12-19-9-7-17-8-10-19/h5-6,11,16-17H,7-10,12H2,1-4H3/p+2/t16-/m1/s1