[(2S)-2-[4-(2-methylpropyl)piperazin-4-ium-1-yl]-2-(4-propan-2-ylphenyl)ethyl]azanium

Systemtic Name: [(2S)-2-[4-(2-methylpropyl)piperazin-4-ium-1-yl]-2-(4-propan-2-ylphenyl)ethyl]azanium Openeye Name: [(2S)-2-(4-isobutylpiperazin-4-ium-1-yl)-2-(4-isopropylphenyl)ethyl]ammonium CAS Name: [(2S)-2-[4-(2-methylpropyl)-1-piperazin-4-iumyl]-2-(4-propan-2-ylphenyl)ethyl]ammonium IUPAC Name: [(2S)-2-[4-(2-methylpropyl)piperazin-4-ium-1-yl]-2-(4-propan-2-ylphenyl)ethyl]azanium Traditional Name: [(2S)-2-(4-isobutylpiperazin-4-ium-1-yl)-2-p-cumenyl-ethyl]ammonium Formula: C19H35N3+2 MolecularWeight: 305.5013

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H33N3/c1-15(2)14-21-9-11-22(12-10-21)19(13-20)18-7-5-17(6-8-18)16(3)4/h5-8,15-16,19H,9-14,20H2,1-4H3/p+2/t19-/m1/s1