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

Systemtic Name: (3-aminocarbonylphenyl)methyl-[(2S)-butan-2-yl]azanium Openeye Name: (3-carbamoylphenyl)methyl-[(1S)-1-methylpropyl]ammonium CAS Name: [(2S)-butan-2-yl]-[(3-carbamoylphenyl)methyl]ammonium IUPAC Name: [(2S)-butan-2-yl]-[(3-carbamoylphenyl)methyl]azanium Traditional Name: (3-carbamoylbenzyl)-[(1S)-1-methylpropyl]ammonium Formula: C12H19N2O+ MolecularWeight: 207.29206

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H18N2O/c1-3-9(2)14-8-10-5-4-6-11(7-10)12(13)15/h4-7,9,14H,3,8H2,1-2H3,(H2,13,15)/p+1/t9-/m0/s1