[(2S)-3,3-dimethyl-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)butan-2-yl]azanium

Systemtic Name: [(2S)-3,3-dimethyl-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)butan-2-yl]azanium Openeye Name: [(1S)-2,2-dimethyl-1-[(4-pyridin-1-ium-2-ylpiperazin-1-yl)methyl]propyl]ammonium CAS Name: [(2S)-3,3-dimethyl-1-[4-(2-pyridin-1-iumyl)-1-piperazinyl]butan-2-yl]ammonium IUPAC Name: [(2S)-3,3-dimethyl-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)butan-2-yl]azanium Traditional Name: [(1S)-2,2-dimethyl-1-[(4-pyridin-1-ium-2-ylpiperazino)methyl]propyl]ammonium Formula: C15H28N4+2 MolecularWeight: 264.40962

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(CN1CCN(CC1)C2=CC=CC=[NH+]2)[NH3+]

Isomeric SMILES

CC(C)(C)[C@@H](CN1CCN(CC1)C2=CC=CC=[NH+]2)[NH3+]

InChI

InChI=1S/C15H26N4/c1-15(2,3)13(16)12-18-8-10-19(11-9-18)14-6-4-5-7-17-14/h4-7,13H,8-12,16H2,1-3H3/p+2/t13-/m1/s1