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

Systemtic Name: [(2S)-3,3-dimethyl-1-(4-phenylpiperazin-1-ium-1-yl)butan-2-yl]azanium Openeye Name: [(1S)-2,2-dimethyl-1-[(4-phenylpiperazin-1-ium-1-yl)methyl]propyl]ammonium CAS Name: [(2S)-3,3-dimethyl-1-(4-phenyl-1-piperazin-1-iumyl)butan-2-yl]ammonium IUPAC Name: [(2S)-3,3-dimethyl-1-(4-phenylpiperazin-1-ium-1-yl)butan-2-yl]azanium Traditional Name: [(1S)-2,2-dimethyl-1-[(4-phenylpiperazin-1-ium-1-yl)methyl]propyl]ammonium Formula: C16H29N3+2 MolecularWeight: 263.42156

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H27N3/c1-16(2,3)15(17)13-18-9-11-19(12-10-18)14-7-5-4-6-8-14/h4-8,15H,9-13,17H2,1-3H3/p+2/t15-/m1/s1