[(2S)-1-[4-(2-chlorophenyl)piperazin-1-ium-1-yl]-4-methyl-pentan-2-yl]azanium

Systemtic Name: [(2S)-1-[4-(2-chlorophenyl)piperazin-1-ium-1-yl]-4-methyl-pentan-2-yl]azanium Openeye Name: [(1S)-1-[[4-(2-chlorophenyl)piperazin-1-ium-1-yl]methyl]-3-methyl-butyl]ammonium CAS Name: [(2S)-1-[4-(2-chlorophenyl)-1-piperazin-1-iumyl]-4-methylpentan-2-yl]ammonium IUPAC Name: [(2S)-1-[4-(2-chlorophenyl)piperazin-1-ium-1-yl]-4-methylpentan-2-yl]azanium Traditional Name: [(1S)-1-[[4-(2-chlorophenyl)piperazin-1-ium-1-yl]methyl]-3-methyl-butyl]ammonium Formula: C16H28ClN3+2 MolecularWeight: 297.86662

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C[NH+]1CCN(CC1)C2=CC=CC=C2Cl)[NH3+]

Isomeric SMILES

CC(C)C[C@@H](C[NH+]1CCN(CC1)C2=CC=CC=C2Cl)[NH3+]

InChI

InChI=1S/C16H26ClN3/c1-13(2)11-14(18)12-19-7-9-20(10-8-19)16-6-4-3-5-15(16)17/h3-6,13-14H,7-12,18H2,1-2H3/p+2/t14-/m0/s1