[(1S)-1-(4-tert-butylphenyl)-2-piperazin-4-ium-1-yl-ethyl]-dimethyl-azanium

Systemtic Name: [(1S)-1-(4-tert-butylphenyl)-2-piperazin-4-ium-1-yl-ethyl]-dimethyl-azanium Openeye Name: [(1S)-1-(4-tert-butylphenyl)-2-piperazin-4-ium-1-yl-ethyl]-dimethyl-ammonium CAS Name: [(1S)-1-(4-tert-butylphenyl)-2-(1-piperazin-4-iumyl)ethyl]-dimethylammonium IUPAC Name: [(1S)-1-(4-tert-butylphenyl)-2-piperazin-4-ium-1-ylethyl]-dimethylazanium Traditional Name: [(1S)-1-(4-tert-butylphenyl)-2-piperazin-4-ium-1-yl-ethyl]-dimethyl-ammonium Formula: C18H33N3+2 MolecularWeight: 291.47472

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H31N3/c1-18(2,3)16-8-6-15(7-9-16)17(20(4)5)14-21-12-10-19-11-13-21/h6-9,17,19H,10-14H2,1-5H3/p+2/t17-/m1/s1