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

Systemtic Name: (2-chlorophenyl)methyl-[(2S)-heptan-2-yl]azanium Openeye Name: (2-chlorophenyl)methyl-[(1S)-1-methylhexyl]ammonium CAS Name: (2-chlorophenyl)methyl-[(2S)-heptan-2-yl]ammonium IUPAC Name: (2-chlorophenyl)methyl-[(2S)-heptan-2-yl]azanium Traditional Name: (2-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=CC=C1Cl

Isomeric SMILES

CCCCC[C@H](C)[NH2+]CC1=CC=CC=C1Cl

InChI

InChI=1S/C14H22ClN/c1-3-4-5-8-12(2)16-11-13-9-6-7-10-14(13)15/h6-7,9-10,12,16H,3-5,8,11H2,1-2H3/p+1/t12-/m0/s1