(3-aminophenyl)methyl-[(2S)-butan-2-yl]-methyl-azanium

Systemtic Name: (3-aminophenyl)methyl-[(2S)-butan-2-yl]-methyl-azanium Openeye Name: (3-aminophenyl)methyl-methyl-[(1S)-1-methylpropyl]ammonium CAS Name: (3-aminophenyl)methyl-[(2S)-butan-2-yl]-methylammonium IUPAC Name: (3-aminophenyl)methyl-[(2S)-butan-2-yl]-methylazanium Traditional Name: (3-aminobenzyl)-methyl-[(1S)-1-methylpropyl]ammonium Formula: C12H21N2+ MolecularWeight: 193.30854

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)[NH+](C)CC1=CC(=CC=C1)N

Isomeric SMILES

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

InChI

InChI=1S/C12H20N2/c1-4-10(2)14(3)9-11-6-5-7-12(13)8-11/h5-8,10H,4,9,13H2,1-3H3/p+1/t10-/m0/s1