N-[(1-methylpiperidin-1-ium-4-yl)methyl]-N-phenethyl-2-propan-2-yl-1,3-thiazole-4-carboxamide

Systemtic Name: N-[(1-methylpiperidin-1-ium-4-yl)methyl]-N-phenethyl-2-propan-2-yl-1,3-thiazole-4-carboxamide Openeye Name: 2-isopropyl-N-[(1-methylpiperidin-1-ium-4-yl)methyl]-N-phenethyl-thiazole-4-carboxamide CAS Name: N-[(1-methyl-4-piperidin-1-iumyl)methyl]-N-phenethyl-2-propan-2-yl-4-thiazolecarboxamide IUPAC Name: N-[(1-methylpiperidin-1-ium-4-yl)methyl]-N-phenethyl-2-propan-2-yl-1,3-thiazole-4-carboxamide Traditional Name: 2-isopropyl-N-[(1-methylpiperidin-1-ium-4-yl)methyl]-N-phenethyl-thiazole-4-carboxamide Formula: C22H32N3OS+ MolecularWeight: 386.57398

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NC(=CS1)C(=O)N(CCC2=CC=CC=C2)CC3CC[NH+](CC3)C

Isomeric SMILES

CC(C)C1=NC(=CS1)C(=O)N(CCC2=CC=CC=C2)CC3CC[NH+](CC3)C

InChI

InChI=1S/C22H31N3OS/c1-17(2)21-23-20(16-27-21)22(26)25(14-11-18-7-5-4-6-8-18)15-19-9-12-24(3)13-10-19/h4-8,16-17,19H,9-15H2,1-3H3/p+1