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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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