[(2S)-2-methylbutyl]-[(3-methylphenyl)methyl]azanium

Systemtic Name: [(2S)-2-methylbutyl]-[(3-methylphenyl)methyl]azanium Openeye Name: [(2S)-2-methylbutyl]-(m-tolylmethyl)ammonium CAS Name: [(2S)-2-methylbutyl]-[(3-methylphenyl)methyl]ammonium IUPAC Name: [(2S)-2-methylbutyl]-[(3-methylphenyl)methyl]azanium Traditional Name: (3-methylbenzyl)-[(2S)-2-methylbutyl]ammonium Formula: C13H22N+ MolecularWeight: 192.32048

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H21N/c1-4-11(2)9-14-10-13-7-5-6-12(3)8-13/h5-8,11,14H,4,9-10H2,1-3H3/p+1/t11-/m0/s1