N-[4-(2-azanyl-2-oxidanylidene-ethyl)-1,3-thiazol-2-yl]-4-(piperidin-1-ium-1-ylmethyl)benzamide

Systemtic Name: N-[4-(2-azanyl-2-oxidanylidene-ethyl)-1,3-thiazol-2-yl]-4-(piperidin-1-ium-1-ylmethyl)benzamide Openeye Name: N-[4-(2-amino-2-oxo-ethyl)thiazol-2-yl]-4-(piperidin-1-ium-1-ylmethyl)benzamide CAS Name: N-[4-(2-amino-2-oxoethyl)-2-thiazolyl]-4-(1-piperidin-1-iumylmethyl)benzamide IUPAC Name: N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-4-(piperidin-1-ium-1-ylmethyl)benzamide Traditional Name: N-[4-(2-amino-2-keto-ethyl)thiazol-2-yl]-4-(piperidin-1-ium-1-ylmethyl)benzamide Formula: C18H23N4O2S+ MolecularWeight: 359.46582

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC2=CC=C(C=C2)C(=O)NC3=NC(=CS3)CC(=O)N

Isomeric SMILES

C1CC[NH+](CC1)CC2=CC=C(C=C2)C(=O)NC3=NC(=CS3)CC(=O)N

InChI

InChI=1S/C18H22N4O2S/c19-16(23)10-15-12-25-18(20-15)21-17(24)14-6-4-13(5-7-14)11-22-8-2-1-3-9-22/h4-7,12H,1-3,8-11H2,(H2,19,23)(H,20,21,24)/p+1