3,5-diacetamido-N-[[(2S)-4-(phenylmethyl)morpholin-4-ium-2-yl]methyl]benzamide

Systemtic Name: 3,5-diacetamido-N-[[(2S)-4-(phenylmethyl)morpholin-4-ium-2-yl]methyl]benzamide Openeye Name: 3,5-diacetamido-N-[[(2S)-4-benzylmorpholin-4-ium-2-yl]methyl]benzamide CAS Name: 3,5-diacetamido-N-[[(2S)-4-(phenylmethyl)-2-morpholin-4-iumyl]methyl]benzamide IUPAC Name: 3,5-diacetamido-N-[[(2S)-4-benzylmorpholin-4-ium-2-yl]methyl]benzamide Traditional Name: 3,5-diacetamido-N-[[(2S)-4-benzylmorpholin-4-ium-2-yl]methyl]benzamide Formula: C23H29N4O4+ MolecularWeight: 425.50076

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC(=CC(=C1)C(=O)NCC2C[NH+](CCO2)CC3=CC=CC=C3)NC(=O)C

Isomeric SMILES

CC(=O)NC1=CC(=CC(=C1)C(=O)NC[C@H]2C[NH+](CCO2)CC3=CC=CC=C3)NC(=O)C

InChI

InChI=1S/C23H28N4O4/c1-16(28)25-20-10-19(11-21(12-20)26-17(2)29)23(30)24-13-22-15-27(8-9-31-22)14-18-6-4-3-5-7-18/h3-7,10-12,22H,8-9,13-15H2,1-2H3,(H,24,30)(H,25,28)(H,26,29)/p+1/t22-/m0/s1