methyl-[(2R)-1-oxidanylidene-1-phenylazanyl-butan-2-yl]-(thiophen-3-ylmethyl)azanium

Systemtic Name: methyl-[(2R)-1-oxidanylidene-1-phenylazanyl-butan-2-yl]-(thiophen-3-ylmethyl)azanium Openeye Name: methyl-[(1R)-1-(phenylcarbamoyl)propyl]-(3-thienylmethyl)ammonium CAS Name: [(2R)-1-anilino-1-oxobutan-2-yl]-methyl-(3-thiophenylmethyl)ammonium IUPAC Name: [(2R)-1-anilino-1-oxobutan-2-yl]-methyl-(thiophen-3-ylmethyl)azanium Traditional Name: methyl-[(1R)-1-(phenylcarbamoyl)propyl]-(3-thenyl)ammonium Formula: C16H21N2OS+ MolecularWeight: 289.41574

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=CC=C1)[NH+](C)CC2=CSC=C2

Isomeric SMILES

CC[C@H](C(=O)NC1=CC=CC=C1)[NH+](C)CC2=CSC=C2

InChI

InChI=1S/C16H20N2OS/c1-3-15(18(2)11-13-9-10-20-12-13)16(19)17-14-7-5-4-6-8-14/h4-10,12,15H,3,11H2,1-2H3,(H,17,19)/p+1/t15-/m1/s1