(2S)-N-(3-chloranyl-4-methoxy-phenyl)-2-(4-morpholin-4-ylcarbonylpiperidin-1-ium-1-yl)propanamide

Systemtic Name: (2S)-N-(3-chloranyl-4-methoxy-phenyl)-2-(4-morpholin-4-ylcarbonylpiperidin-1-ium-1-yl)propanamide Openeye Name: (2S)-N-(3-chloro-4-methoxy-phenyl)-2-[4-(morpholine-4-carbonyl)piperidin-1-ium-1-yl]propanamide CAS Name: (2S)-N-(3-chloro-4-methoxyphenyl)-2-[4-[4-morpholinyl(oxo)methyl]-1-piperidin-1-iumyl]propanamide IUPAC Name: (2S)-N-(3-chloro-4-methoxyphenyl)-2-[4-(morpholine-4-carbonyl)piperidin-1-ium-1-yl]propanamide Traditional Name: (2S)-N-(3-chloro-4-methoxy-phenyl)-2-[4-(morpholine-4-carbonyl)piperidin-1-ium-1-yl]propionamide Formula: C20H29ClN3O4+ MolecularWeight: 410.91496

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=C(C=C1)OC)Cl)[NH+]2CCC(CC2)C(=O)N3CCOCC3

Isomeric SMILES

C[C@@H](C(=O)NC1=CC(=C(C=C1)OC)Cl)[NH+]2CCC(CC2)C(=O)N3CCOCC3

InChI

InChI=1S/C20H28ClN3O4/c1-14(19(25)22-16-3-4-18(27-2)17(21)13-16)23-7-5-15(6-8-23)20(26)24-9-11-28-12-10-24/h3-4,13-15H,5-12H2,1-2H3,(H,22,25)/p+1/t14-/m0/s1