(3S)-3-acetamido-3-(4-methylphenyl)-N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]propanamide

Systemtic Name: (3S)-3-acetamido-3-(4-methylphenyl)-N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]propanamide Openeye Name: (3S)-3-acetamido-N-[(6-morpholinopyridin-1-ium-3-yl)methyl]-3-(p-tolyl)propanamide CAS Name: (3S)-3-acetamido-3-(4-methylphenyl)-N-[[6-(4-morpholinyl)-3-pyridin-1-iumyl]methyl]propanamide IUPAC Name: (3S)-3-acetamido-3-(4-methylphenyl)-N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]propanamide Traditional Name: (3S)-3-acetamido-N-[(6-morpholinopyridin-1-ium-3-yl)methyl]-3-(p-tolyl)propionamide Formula: C22H29N4O3+ MolecularWeight: 397.49066

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(CC(=O)NCC2=C[NH+]=C(C=C2)N3CCOCC3)NC(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)[C@H](CC(=O)NCC2=C[NH+]=C(C=C2)N3CCOCC3)NC(=O)C

InChI

InChI=1S/C22H28N4O3/c1-16-3-6-19(7-4-16)20(25-17(2)27)13-22(28)24-15-18-5-8-21(23-14-18)26-9-11-29-12-10-26/h3-8,14,20H,9-13,15H2,1-2H3,(H,24,28)(H,25,27)/p+1/t20-/m0/s1