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

Systemtic Name: [(2S)-heptan-2-yl]-[[4-(methylcarbamoyl)phenyl]methyl]azanium Openeye Name: [4-(methylcarbamoyl)phenyl]methyl-[(1S)-1-methylhexyl]ammonium CAS Name: [(2S)-heptan-2-yl]-[[4-(methylcarbamoyl)phenyl]methyl]ammonium IUPAC Name: [(2S)-heptan-2-yl]-[[4-(methylcarbamoyl)phenyl]methyl]azanium Traditional Name: [4-(methylcarbamoyl)benzyl]-[(1S)-1-methylhexyl]ammonium Formula: C16H27N2O+ MolecularWeight: 263.39838

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H26N2O/c1-4-5-6-7-13(2)18-12-14-8-10-15(11-9-14)16(19)17-3/h8-11,13,18H,4-7,12H2,1-3H3,(H,17,19)/p+1/t13-/m0/s1