(2S)-N-(4-methylphenyl)-2-(4-morpholin-4-ylcarbonylpiperidin-1-ium-1-yl)propanamide

Systemtic Name: (2S)-N-(4-methylphenyl)-2-(4-morpholin-4-ylcarbonylpiperidin-1-ium-1-yl)propanamide Openeye Name: (2S)-2-[4-(morpholine-4-carbonyl)piperidin-1-ium-1-yl]-N-(p-tolyl)propanamide CAS Name: (2S)-N-(4-methylphenyl)-2-[4-[4-morpholinyl(oxo)methyl]-1-piperidin-1-iumyl]propanamide IUPAC Name: (2S)-N-(4-methylphenyl)-2-[4-(morpholine-4-carbonyl)piperidin-1-ium-1-yl]propanamide Traditional Name: (2S)-2-[4-(morpholine-4-carbonyl)piperidin-1-ium-1-yl]-N-(p-tolyl)propionamide Formula: C20H30N3O3+ MolecularWeight: 360.4705

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H29N3O3/c1-15-3-5-18(6-4-15)21-19(24)16(2)22-9-7-17(8-10-22)20(25)23-11-13-26-14-12-23/h3-6,16-17H,7-14H2,1-2H3,(H,21,24)/p+1/t16-/m0/s1