2-[(4-methylphenyl)methoxy]-N-(2-morpholin-4-ium-4-ylethyl)benzenecarbothioamide

Systemtic Name: 2-[(4-methylphenyl)methoxy]-N-(2-morpholin-4-ium-4-ylethyl)benzenecarbothioamide Openeye Name: N-(2-morpholin-4-ium-4-ylethyl)-2-(p-tolylmethoxy)benzenecarbothioamide CAS Name: 2-[(4-methylphenyl)methoxy]-N-[2-(4-morpholin-4-iumyl)ethyl]benzenecarbothioamide IUPAC Name: 2-[(4-methylphenyl)methoxy]-N-(2-morpholin-4-ium-4-ylethyl)benzenecarbothioamide Traditional Name: 2-(4-methylbenzyl)oxy-N-(2-morpholin-4-ium-4-ylethyl)thiobenzamide Formula: C21H27N2O2S+ MolecularWeight: 371.51628

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)COC2=CC=CC=C2C(=S)NCC[NH+]3CCOCC3

Isomeric SMILES

CC1=CC=C(C=C1)COC2=CC=CC=C2C(=S)NCC[NH+]3CCOCC3

InChI

InChI=1S/C21H26N2O2S/c1-17-6-8-18(9-7-17)16-25-20-5-3-2-4-19(20)21(26)22-10-11-23-12-14-24-15-13-23/h2-9H,10-16H2,1H3,(H,22,26)/p+1