(4-chlorophenyl)methyl-[(2S)-heptan-2-yl]azanium

Systemtic Name: (4-chlorophenyl)methyl-[(2S)-heptan-2-yl]azanium Openeye Name: (4-chlorophenyl)methyl-[(1S)-1-methylhexyl]ammonium CAS Name: (4-chlorophenyl)methyl-[(2S)-heptan-2-yl]ammonium IUPAC Name: (4-chlorophenyl)methyl-[(2S)-heptan-2-yl]azanium Traditional Name: (4-chlorobenzyl)-[(1S)-1-methylhexyl]ammonium Formula: C14H23ClN+ MolecularWeight: 240.79212

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H22ClN/c1-3-4-5-6-12(2)16-11-13-7-9-14(15)10-8-13/h7-10,12,16H,3-6,11H2,1-2H3/p+1/t12-/m0/s1