N-[(1-methylpiperidin-1-ium-4-yl)methyl]-3-(4-methyl-1,3-thiazol-5-yl)-N-phenethyl-propanamide

Systemtic Name: N-[(1-methylpiperidin-1-ium-4-yl)methyl]-3-(4-methyl-1,3-thiazol-5-yl)-N-phenethyl-propanamide Openeye Name: N-[(1-methylpiperidin-1-ium-4-yl)methyl]-3-(4-methylthiazol-5-yl)-N-phenethyl-propanamide CAS Name: N-[(1-methyl-4-piperidin-1-iumyl)methyl]-3-(4-methyl-5-thiazolyl)-N-phenethylpropanamide IUPAC Name: N-[(1-methylpiperidin-1-ium-4-yl)methyl]-3-(4-methyl-1,3-thiazol-5-yl)-N-phenethylpropanamide Traditional Name: N-[(1-methylpiperidin-1-ium-4-yl)methyl]-3-(4-methylthiazol-5-yl)-N-phenethyl-propionamide Formula: C22H32N3OS+ MolecularWeight: 386.57398

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=N1)CCC(=O)N(CCC2=CC=CC=C2)CC3CC[NH+](CC3)C

Isomeric SMILES

CC1=C(SC=N1)CCC(=O)N(CCC2=CC=CC=C2)CC3CC[NH+](CC3)C

InChI

InChI=1S/C22H31N3OS/c1-18-21(27-17-23-18)8-9-22(26)25(15-12-19-6-4-3-5-7-19)16-20-10-13-24(2)14-11-20/h3-7,17,20H,8-16H2,1-2H3/p+1