[(2S)-butan-2-yl]-[[5-(4-ethoxycarbonylphenyl)furan-2-yl]methyl]azanium

Systemtic Name: [(2S)-butan-2-yl]-[[5-(4-ethoxycarbonylphenyl)furan-2-yl]methyl]azanium Openeye Name: [5-(4-ethoxycarbonylphenyl)-2-furyl]methyl-[(1S)-1-methylpropyl]ammonium CAS Name: [(2S)-butan-2-yl]-[[5-(4-ethoxycarbonylphenyl)-2-furanyl]methyl]ammonium IUPAC Name: [(2S)-butan-2-yl]-[[5-(4-ethoxycarbonylphenyl)furan-2-yl]methyl]azanium Traditional Name: [5-(4-carbethoxyphenyl)-2-furyl]methyl-[(1S)-1-methylpropyl]ammonium Formula: C18H24NO3+ MolecularWeight: 302.38806

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)[NH2+]CC1=CC=C(O1)C2=CC=C(C=C2)C(=O)OCC

Isomeric SMILES

CC[C@H](C)[NH2+]CC1=CC=C(O1)C2=CC=C(C=C2)C(=O)OCC

InChI

InChI=1S/C18H23NO3/c1-4-13(3)19-12-16-10-11-17(22-16)14-6-8-15(9-7-14)18(20)21-5-2/h6-11,13,19H,4-5,12H2,1-3H3/p+1/t13-/m0/s1