N-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide

Systemtic Name: N-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide Openeye Name: N-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]-4-[(2-methylthiazol-4-yl)methoxy]benzamide CAS Name: N-[3-[(2S)-2-methyl-1-piperidin-1-iumyl]propyl]-4-[(2-methyl-4-thiazolyl)methoxy]benzamide IUPAC Name: N-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide Traditional Name: N-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]-4-[(2-methylthiazol-4-yl)methoxy]benzamide Formula: C21H30N3O2S+ MolecularWeight: 388.5468

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC[NH+]1CCCNC(=O)C2=CC=C(C=C2)OCC3=CSC(=N3)C

Isomeric SMILES

C[C@H]1CCCC[NH+]1CCCNC(=O)C2=CC=C(C=C2)OCC3=CSC(=N3)C

InChI

InChI=1S/C21H29N3O2S/c1-16-6-3-4-12-24(16)13-5-11-22-21(25)18-7-9-20(10-8-18)26-14-19-15-27-17(2)23-19/h7-10,15-16H,3-6,11-14H2,1-2H3,(H,22,25)/p+1/t16-/m0/s1