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

Systemtic Name: 3,4-dimethyl-N-[4-(piperidin-1-ium-1-ylmethyl)-1,3-thiazol-2-yl]benzamide Openeye Name: 3,4-dimethyl-N-[4-(piperidin-1-ium-1-ylmethyl)thiazol-2-yl]benzamide CAS Name: 3,4-dimethyl-N-[4-(1-piperidin-1-iumylmethyl)-2-thiazolyl]benzamide IUPAC Name: 3,4-dimethyl-N-[4-(piperidin-1-ium-1-ylmethyl)-1,3-thiazol-2-yl]benzamide Traditional Name: 3,4-dimethyl-N-[4-(piperidin-1-ium-1-ylmethyl)thiazol-2-yl]benzamide Formula: C18H24N3OS+ MolecularWeight: 330.46766

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC2=NC(=CS2)C[NH+]3CCCCC3)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC2=NC(=CS2)C[NH+]3CCCCC3)C

InChI

InChI=1S/C18H23N3OS/c1-13-6-7-15(10-14(13)2)17(22)20-18-19-16(12-23-18)11-21-8-4-3-5-9-21/h6-7,10,12H,3-5,8-9,11H2,1-2H3,(H,19,20,22)/p+1