N-[4,5-dimethyl-3-(morpholin-4-ium-4-ylmethyl)thiophen-2-yl]benzamide

Systemtic Name: N-[4,5-dimethyl-3-(morpholin-4-ium-4-ylmethyl)thiophen-2-yl]benzamide Openeye Name: N-[4,5-dimethyl-3-(morpholin-4-ium-4-ylmethyl)-2-thienyl]benzamide CAS Name: N-[4,5-dimethyl-3-(4-morpholin-4-iumylmethyl)-2-thiophenyl]benzamide IUPAC Name: N-[4,5-dimethyl-3-(morpholin-4-ium-4-ylmethyl)thiophen-2-yl]benzamide Traditional Name: N-[4,5-dimethyl-3-(morpholin-4-ium-4-ylmethyl)-2-thienyl]benzamide Formula: C18H23N2O2S+ MolecularWeight: 331.45242

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C[NH+]2CCOCC2)NC(=O)C3=CC=CC=C3)C

Isomeric SMILES

CC1=C(SC(=C1C[NH+]2CCOCC2)NC(=O)C3=CC=CC=C3)C

InChI

InChI=1S/C18H22N2O2S/c1-13-14(2)23-18(16(13)12-20-8-10-22-11-9-20)19-17(21)15-6-4-3-5-7-15/h3-7H,8-12H2,1-2H3,(H,19,21)/p+1