[(1S)-1-(3-acetamidophenyl)ethyl]-[(3S,5S)-5-methylheptan-3-yl]azanium

Systemtic Name: [(1S)-1-(3-acetamidophenyl)ethyl]-[(3S,5S)-5-methylheptan-3-yl]azanium Openeye Name: [(1S)-1-(3-acetamidophenyl)ethyl]-[(1S,3S)-1-ethyl-3-methyl-pentyl]ammonium CAS Name: [(1S)-1-(3-acetamidophenyl)ethyl]-[(3S,5S)-5-methylheptan-3-yl]ammonium IUPAC Name: [(1S)-1-(3-acetamidophenyl)ethyl]-[(3S,5S)-5-methylheptan-3-yl]azanium Traditional Name: [(1S)-1-(3-acetamidophenyl)ethyl]-[(1S,3S)-1-ethyl-3-methyl-pentyl]ammonium Formula: C18H31N2O+ MolecularWeight: 291.45154

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H30N2O/c1-6-13(3)11-17(7-2)19-14(4)16-9-8-10-18(12-16)20-15(5)21/h8-10,12-14,17,19H,6-7,11H2,1-5H3,(H,20,21)/p+1/t13-,14-,17-/m0/s1