N-(2-methoxy-5-methyl-phenyl)-2-[5-(morpholin-4-ium-4-ylmethyl)pyridin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-(2-methoxy-5-methyl-phenyl)-2-[5-(morpholin-4-ium-4-ylmethyl)pyridin-2-yl]sulfanyl-ethanamide Openeye Name: N-(2-methoxy-5-methyl-phenyl)-2-[[5-(morpholin-4-ium-4-ylmethyl)-2-pyridyl]sulfanyl]acetamide CAS Name: N-(2-methoxy-5-methylphenyl)-2-[[5-(4-morpholin-4-iumylmethyl)-2-pyridinyl]thio]acetamide IUPAC Name: N-(2-methoxy-5-methylphenyl)-2-[5-(morpholin-4-ium-4-ylmethyl)pyridin-2-yl]sulfanylacetamide Traditional Name: N-(2-methoxy-5-methyl-phenyl)-2-[[5-(morpholin-4-ium-4-ylmethyl)-2-pyridyl]thio]acetamide Formula: C20H26N3O3S+ MolecularWeight: 388.50374

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)NC(=O)CSC2=NC=C(C=C2)C[NH+]3CCOCC3

Isomeric SMILES

CC1=CC(=C(C=C1)OC)NC(=O)CSC2=NC=C(C=C2)C[NH+]3CCOCC3

InChI

InChI=1S/C20H25N3O3S/c1-15-3-5-18(25-2)17(11-15)22-19(24)14-27-20-6-4-16(12-21-20)13-23-7-9-26-10-8-23/h3-6,11-12H,7-10,13-14H2,1-2H3,(H,22,24)/p+1