N-[4-methyl-5-(piperidin-1-ium-1-ylmethyl)-1,3-thiazol-2-yl]benzamide

Systemtic Name: N-[4-methyl-5-(piperidin-1-ium-1-ylmethyl)-1,3-thiazol-2-yl]benzamide Openeye Name: N-[4-methyl-5-(piperidin-1-ium-1-ylmethyl)thiazol-2-yl]benzamide CAS Name: N-[4-methyl-5-(1-piperidin-1-iumylmethyl)-2-thiazolyl]benzamide IUPAC Name: N-[4-methyl-5-(piperidin-1-ium-1-ylmethyl)-1,3-thiazol-2-yl]benzamide Traditional Name: N-[4-methyl-5-(piperidin-1-ium-1-ylmethyl)thiazol-2-yl]benzamide Formula: C17H22N3OS+ MolecularWeight: 316.44108

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)NC(=O)C2=CC=CC=C2)C[NH+]3CCCCC3

Isomeric SMILES

CC1=C(SC(=N1)NC(=O)C2=CC=CC=C2)C[NH+]3CCCCC3

InChI

InChI=1S/C17H21N3OS/c1-13-15(12-20-10-6-3-7-11-20)22-17(18-13)19-16(21)14-8-4-2-5-9-14/h2,4-5,8-9H,3,6-7,10-12H2,1H3,(H,18,19,21)/p+1