[4-(methylcarbamoyl)phenyl]methyl-[(2S)-pentan-2-yl]azanium

Systemtic Name: [4-(methylcarbamoyl)phenyl]methyl-[(2S)-pentan-2-yl]azanium Openeye Name: [(1S)-1-methylbutyl]-[[4-(methylcarbamoyl)phenyl]methyl]ammonium CAS Name: [4-(methylcarbamoyl)phenyl]methyl-[(2S)-pentan-2-yl]ammonium IUPAC Name: [4-(methylcarbamoyl)phenyl]methyl-[(2S)-pentan-2-yl]azanium Traditional Name: [(1S)-1-methylbutyl]-[4-(methylcarbamoyl)benzyl]ammonium Formula: C14H23N2O+ MolecularWeight: 235.34522

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)[NH2+]CC1=CC=C(C=C1)C(=O)NC

Isomeric SMILES

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

InChI

InChI=1S/C14H22N2O/c1-4-5-11(2)16-10-12-6-8-13(9-7-12)14(17)15-3/h6-9,11,16H,4-5,10H2,1-3H3,(H,15,17)/p+1/t11-/m0/s1