[(2S)-1-methoxy-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]-[(8-methyl-2-piperidin-1-ylcarbonyl-imidazo[1,2-a]pyridin-3-yl)methyl]azanium

Systemtic Name: [(2S)-1-methoxy-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]-[(8-methyl-2-piperidin-1-ylcarbonyl-imidazo[1,2-a]pyridin-3-yl)methyl]azanium Openeye Name: [(1S)-1-methoxycarbonyl-3-methylsulfanyl-propyl]-[[8-methyl-2-(piperidine-1-carbonyl)imidazo[1,2-a]pyridin-3-yl]methyl]ammonium CAS Name: [(2S)-1-methoxy-4-(methylthio)-1-oxobutan-2-yl]-[[8-methyl-2-[oxo(1-piperidinyl)methyl]-3-imidazo[1,2-a]pyridinyl]methyl]ammonium IUPAC Name: [(2S)-1-methoxy-4-methylsulfanyl-1-oxobutan-2-yl]-[[8-methyl-2-(piperidine-1-carbonyl)imidazo[1,2-a]pyridin-3-yl]methyl]azanium Traditional Name: [(1S)-1-carbomethoxy-3-(methylthio)propyl]-[[8-methyl-2-(piperidine-1-carbonyl)imidazo[1,2-a]pyridin-3-yl]methyl]ammonium Formula: C21H31N4O3S+ MolecularWeight: 419.56084

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CN2C1=NC(=C2C[NH2+]C(CCSC)C(=O)OC)C(=O)N3CCCCC3

Isomeric SMILES

CC1=CC=CN2C1=NC(=C2C[NH2+][C@@H](CCSC)C(=O)OC)C(=O)N3CCCCC3

InChI

InChI=1S/C21H30N4O3S/c1-15-8-7-12-25-17(14-22-16(9-13-29-3)21(27)28-2)18(23-19(15)25)20(26)24-10-5-4-6-11-24/h7-8,12,16,22H,4-6,9-11,13-14H2,1-3H3/p+1/t16-/m0/s1