3-acetamido-N-[(1S)-2-morpholin-4-ium-4-yl-1-phenyl-ethyl]benzamide

Systemtic Name: 3-acetamido-N-[(1S)-2-morpholin-4-ium-4-yl-1-phenyl-ethyl]benzamide Openeye Name: 3-acetamido-N-[(1S)-2-morpholin-4-ium-4-yl-1-phenyl-ethyl]benzamide CAS Name: 3-acetamido-N-[(1S)-2-(4-morpholin-4-iumyl)-1-phenylethyl]benzamide IUPAC Name: 3-acetamido-N-[(1S)-2-morpholin-4-ium-4-yl-1-phenylethyl]benzamide Traditional Name: 3-acetamido-N-[(1S)-2-morpholin-4-ium-4-yl-1-phenyl-ethyl]benzamide Formula: C21H26N3O3+ MolecularWeight: 368.44944

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=CC(=C1)C(=O)NC(C[NH+]2CCOCC2)C3=CC=CC=C3

Isomeric SMILES

CC(=O)NC1=CC=CC(=C1)C(=O)N[C@H](C[NH+]2CCOCC2)C3=CC=CC=C3

InChI

InChI=1S/C21H25N3O3/c1-16(25)22-19-9-5-8-18(14-19)21(26)23-20(17-6-3-2-4-7-17)15-24-10-12-27-13-11-24/h2-9,14,20H,10-13,15H2,1H3,(H,22,25)(H,23,26)/p+1/t20-/m1/s1