2-(3-methyl-4-propan-2-yl-phenoxy)-N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]ethanamide

Systemtic Name: 2-(3-methyl-4-propan-2-yl-phenoxy)-N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]ethanamide Openeye Name: 2-(4-isopropyl-3-methyl-phenoxy)-N-[(6-morpholinopyridin-1-ium-3-yl)methyl]acetamide CAS Name: 2-(3-methyl-4-propan-2-ylphenoxy)-N-[[6-(4-morpholinyl)-3-pyridin-1-iumyl]methyl]acetamide IUPAC Name: 2-(3-methyl-4-propan-2-ylphenoxy)-N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]acetamide Traditional Name: 2-(4-isopropyl-3-methyl-phenoxy)-N-[(6-morpholinopyridin-1-ium-3-yl)methyl]acetamide Formula: C22H30N3O3+ MolecularWeight: 384.4919

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OCC(=O)NCC2=C[NH+]=C(C=C2)N3CCOCC3)C(C)C

Isomeric SMILES

CC1=C(C=CC(=C1)OCC(=O)NCC2=C[NH+]=C(C=C2)N3CCOCC3)C(C)C

InChI

InChI=1S/C22H29N3O3/c1-16(2)20-6-5-19(12-17(20)3)28-15-22(26)24-14-18-4-7-21(23-13-18)25-8-10-27-11-9-25/h4-7,12-13,16H,8-11,14-15H2,1-3H3,(H,24,26)/p+1