[(2S)-2-[4-(3-methylbutyl)piperazin-4-ium-1-yl]-2-phenyl-ethyl]azanium

Systemtic Name: [(2S)-2-[4-(3-methylbutyl)piperazin-4-ium-1-yl]-2-phenyl-ethyl]azanium Openeye Name: [(2S)-2-(4-isopentylpiperazin-4-ium-1-yl)-2-phenyl-ethyl]ammonium CAS Name: [(2S)-2-[4-(3-methylbutyl)-1-piperazin-4-iumyl]-2-phenylethyl]ammonium IUPAC Name: [(2S)-2-[4-(3-methylbutyl)piperazin-4-ium-1-yl]-2-phenylethyl]azanium Traditional Name: [(2S)-2-(4-isoamylpiperazin-4-ium-1-yl)-2-phenyl-ethyl]ammonium Formula: C17H31N3+2 MolecularWeight: 277.44814

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H29N3/c1-15(2)8-9-19-10-12-20(13-11-19)17(14-18)16-6-4-3-5-7-16/h3-7,15,17H,8-14,18H2,1-2H3/p+2/t17-/m1/s1