[(2S,3S)-1-[4-(2-chlorophenyl)piperazin-1-ium-1-yl]-3-methyl-pentan-2-yl]azanium

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H26ClN3/c1-3-13(2)15(18)12-19-8-10-20(11-9-19)16-7-5-4-6-14(16)17/h4-7,13,15H,3,8-12,18H2,1-2H3/p+2/t13-,15+/m0/s1