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

Systemtic Name: ethyl-(pyridin-4-ylmethyl)-[(3S)-1-[(2-thiophen-2-yl-1,3-thiazol-4-yl)carbonyl]piperidin-3-yl]azanium Openeye Name: ethyl-(4-pyridylmethyl)-[(3S)-1-[2-(2-thienyl)thiazole-4-carbonyl]-3-piperidyl]ammonium CAS Name: ethyl-[(3S)-1-[oxo-(2-thiophen-2-yl-4-thiazolyl)methyl]-3-piperidinyl]-(pyridin-4-ylmethyl)ammonium IUPAC Name: ethyl-(pyridin-4-ylmethyl)-[(3S)-1-(2-thiophen-2-yl-1,3-thiazole-4-carbonyl)piperidin-3-yl]azanium Traditional Name: ethyl-(4-pyridylmethyl)-[(3S)-1-[2-(2-thienyl)thiazole-4-carbonyl]-3-piperidyl]ammonium Formula: C21H25N4OS2+ MolecularWeight: 413.5794

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC1=CC=NC=C1)C2CCCN(C2)C(=O)C3=CSC(=N3)C4=CC=CS4

Isomeric SMILES

CC[NH+](CC1=CC=NC=C1)[C@H]2CCCN(C2)C(=O)C3=CSC(=N3)C4=CC=CS4

InChI

InChI=1S/C21H24N4OS2/c1-2-24(13-16-7-9-22-10-8-16)17-5-3-11-25(14-17)21(26)18-15-28-20(23-18)19-6-4-12-27-19/h4,6-10,12,15,17H,2-3,5,11,13-14H2,1H3/p+1/t17-/m0/s1