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

Systemtic Name: (2S)-2-(4-morpholin-4-ylcarbonylpiperidin-1-ium-1-yl)-N-(4-propan-2-ylphenyl)propanamide Openeye Name: (2S)-N-(4-isopropylphenyl)-2-[4-(morpholine-4-carbonyl)piperidin-1-ium-1-yl]propanamide CAS Name: (2S)-2-[4-[4-morpholinyl(oxo)methyl]-1-piperidin-1-iumyl]-N-(4-propan-2-ylphenyl)propanamide IUPAC Name: (2S)-2-[4-(morpholine-4-carbonyl)piperidin-1-ium-1-yl]-N-(4-propan-2-ylphenyl)propanamide Traditional Name: (2S)-2-[4-(morpholine-4-carbonyl)piperidin-1-ium-1-yl]-N-p-cumenyl-propionamide Formula: C22H34N3O3+ MolecularWeight: 388.52366

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H33N3O3/c1-16(2)18-4-6-20(7-5-18)23-21(26)17(3)24-10-8-19(9-11-24)22(27)25-12-14-28-15-13-25/h4-7,16-17,19H,8-15H2,1-3H3,(H,23,26)/p+1/t17-/m0/s1