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

Systemtic Name: (2S)-N-(4-ethylphenyl)-2-(4-morpholin-4-ylcarbonylpiperidin-1-ium-1-yl)propanamide Openeye Name: (2S)-N-(4-ethylphenyl)-2-[4-(morpholine-4-carbonyl)piperidin-1-ium-1-yl]propanamide CAS Name: (2S)-N-(4-ethylphenyl)-2-[4-[4-morpholinyl(oxo)methyl]-1-piperidin-1-iumyl]propanamide IUPAC Name: (2S)-N-(4-ethylphenyl)-2-[4-(morpholine-4-carbonyl)piperidin-1-ium-1-yl]propanamide Traditional Name: (2S)-N-(4-ethylphenyl)-2-[4-(morpholine-4-carbonyl)piperidin-1-ium-1-yl]propionamide Formula: C21H32N3O3+ MolecularWeight: 374.49708

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=O)C(C)[NH+]2CCC(CC2)C(=O)N3CCOCC3

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=O)[C@H](C)[NH+]2CCC(CC2)C(=O)N3CCOCC3

InChI

InChI=1S/C21H31N3O3/c1-3-17-4-6-19(7-5-17)22-20(25)16(2)23-10-8-18(9-11-23)21(26)24-12-14-27-15-13-24/h4-7,16,18H,3,8-15H2,1-2H3,(H,22,25)/p+1/t16-/m0/s1