(2S)-N-(2-methoxy-5-methyl-phenyl)-2-(4-morpholin-4-ylcarbonylpiperidin-1-ium-1-yl)propanamide

Systemtic Name: (2S)-N-(2-methoxy-5-methyl-phenyl)-2-(4-morpholin-4-ylcarbonylpiperidin-1-ium-1-yl)propanamide Openeye Name: (2S)-N-(2-methoxy-5-methyl-phenyl)-2-[4-(morpholine-4-carbonyl)piperidin-1-ium-1-yl]propanamide CAS Name: (2S)-N-(2-methoxy-5-methylphenyl)-2-[4-[4-morpholinyl(oxo)methyl]-1-piperidin-1-iumyl]propanamide IUPAC Name: (2S)-N-(2-methoxy-5-methylphenyl)-2-[4-(morpholine-4-carbonyl)piperidin-1-ium-1-yl]propanamide Traditional Name: (2S)-N-(2-methoxy-5-methyl-phenyl)-2-[4-(morpholine-4-carbonyl)piperidin-1-ium-1-yl]propionamide Formula: C21H32N3O4+ MolecularWeight: 390.49648

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)NC(=O)C(C)[NH+]2CCC(CC2)C(=O)N3CCOCC3

Isomeric SMILES

CC1=CC(=C(C=C1)OC)NC(=O)[C@H](C)[NH+]2CCC(CC2)C(=O)N3CCOCC3

InChI

InChI=1S/C21H31N3O4/c1-15-4-5-19(27-3)18(14-15)22-20(25)16(2)23-8-6-17(7-9-23)21(26)24-10-12-28-13-11-24/h4-5,14,16-17H,6-13H2,1-3H3,(H,22,25)/p+1/t16-/m0/s1