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

Systemtic Name: [4-(methylcarbamoyl)phenyl]methyl-[(2S)-octan-2-yl]azanium Openeye Name: [4-(methylcarbamoyl)phenyl]methyl-[(1S)-1-methylheptyl]ammonium CAS Name: [4-(methylcarbamoyl)phenyl]methyl-[(2S)-octan-2-yl]ammonium IUPAC Name: [4-(methylcarbamoyl)phenyl]methyl-[(2S)-octan-2-yl]azanium Traditional Name: [4-(methylcarbamoyl)benzyl]-[(1S)-1-methylheptyl]ammonium Formula: C17H29N2O+ MolecularWeight: 277.42496

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H28N2O/c1-4-5-6-7-8-14(2)19-13-15-9-11-16(12-10-15)17(20)18-3/h9-12,14,19H,4-8,13H2,1-3H3,(H,18,20)/p+1/t14-/m0/s1