N-[(1S)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]-4-(1-phenethylpiperidin-1-ium-4-yl)oxy-benzamide

Systemtic Name: N-[(1S)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]-4-(1-phenethylpiperidin-1-ium-4-yl)oxy-benzamide Openeye Name: N-[(1S)-1-(4-methylthiazol-2-yl)ethyl]-4-(1-phenethylpiperidin-1-ium-4-yl)oxy-benzamide CAS Name: N-[(1S)-1-(4-methyl-2-thiazolyl)ethyl]-4-[(1-phenethyl-4-piperidin-1-iumyl)oxy]benzamide IUPAC Name: N-[(1S)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]-4-(1-phenethylpiperidin-1-ium-4-yl)oxybenzamide Traditional Name: N-[(1S)-1-(4-methylthiazol-2-yl)ethyl]-4-(1-phenethylpiperidin-1-ium-4-yl)oxy-benzamide Formula: C26H32N3O2S+ MolecularWeight: 450.61618

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=N1)C(C)NC(=O)C2=CC=C(C=C2)OC3CC[NH+](CC3)CCC4=CC=CC=C4

Isomeric SMILES

CC1=CSC(=N1)[C@H](C)NC(=O)C2=CC=C(C=C2)OC3CC[NH+](CC3)CCC4=CC=CC=C4

InChI

InChI=1S/C26H31N3O2S/c1-19-18-32-26(27-19)20(2)28-25(30)22-8-10-23(11-9-22)31-24-13-16-29(17-14-24)15-12-21-6-4-3-5-7-21/h3-11,18,20,24H,12-17H2,1-2H3,(H,28,30)/p+1/t20-/m0/s1