ethyl-[(3S)-1-[(2-methylsulfanyl-1,3-thiazol-4-yl)carbonyl]piperidin-3-yl]-(pyridin-4-ylmethyl)azanium

Systemtic Name: ethyl-[(3S)-1-[(2-methylsulfanyl-1,3-thiazol-4-yl)carbonyl]piperidin-3-yl]-(pyridin-4-ylmethyl)azanium Openeye Name: ethyl-[(3S)-1-(2-methylsulfanylthiazole-4-carbonyl)-3-piperidyl]-(4-pyridylmethyl)ammonium CAS Name: ethyl-[(3S)-1-[[2-(methylthio)-4-thiazolyl]-oxomethyl]-3-piperidinyl]-(pyridin-4-ylmethyl)ammonium IUPAC Name: ethyl-[(3S)-1-(2-methylsulfanyl-1,3-thiazole-4-carbonyl)piperidin-3-yl]-(pyridin-4-ylmethyl)azanium Traditional Name: ethyl-[(3S)-1-[2-(methylthio)thiazole-4-carbonyl]-3-piperidyl]-(4-pyridylmethyl)ammonium Formula: C18H25N4OS2+ MolecularWeight: 377.5473

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC1=CC=NC=C1)C2CCCN(C2)C(=O)C3=CSC(=N3)SC

Isomeric SMILES

CC[NH+](CC1=CC=NC=C1)[C@H]2CCCN(C2)C(=O)C3=CSC(=N3)SC

InChI

InChI=1S/C18H24N4OS2/c1-3-21(11-14-6-8-19-9-7-14)15-5-4-10-22(12-15)17(23)16-13-25-18(20-16)24-2/h6-9,13,15H,3-5,10-12H2,1-2H3/p+1/t15-/m0/s1