(4-chlorophenyl)methyl-[(2S,3S)-3-methylpentan-2-yl]azanium

Systemtic Name: (4-chlorophenyl)methyl-[(2S,3S)-3-methylpentan-2-yl]azanium Openeye Name: (4-chlorophenyl)methyl-[(1S,2S)-1,2-dimethylbutyl]ammonium CAS Name: (4-chlorophenyl)methyl-[(2S,3S)-3-methylpentan-2-yl]ammonium IUPAC Name: (4-chlorophenyl)methyl-[(2S,3S)-3-methylpentan-2-yl]azanium Traditional Name: (4-chlorobenzyl)-[(1S,2S)-1,2-dimethylbutyl]ammonium Formula: C13H21ClN+ MolecularWeight: 226.76554

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C)[NH2+]CC1=CC=C(C=C1)Cl

Isomeric SMILES

CC[C@H](C)[C@H](C)[NH2+]CC1=CC=C(C=C1)Cl

InChI

InChI=1S/C13H20ClN/c1-4-10(2)11(3)15-9-12-5-7-13(14)8-6-12/h5-8,10-11,15H,4,9H2,1-3H3/p+1/t10-,11-/m0/s1