2-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]carbonylamino]-N-[(1R)-1-phenylethyl]benzamide

Systemtic Name: 2-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]carbonylamino]-N-[(1R)-1-phenylethyl]benzamide Openeye Name: 2-[[4-(morpholin-4-ium-4-ylmethyl)benzoyl]amino]-N-[(1R)-1-phenylethyl]benzamide CAS Name: 2-[[[4-(4-morpholin-4-iumylmethyl)phenyl]-oxomethyl]amino]-N-[(1R)-1-phenylethyl]benzamide IUPAC Name: 2-[[4-(morpholin-4-ium-4-ylmethyl)benzoyl]amino]-N-[(1R)-1-phenylethyl]benzamide Traditional Name: 2-[[4-(morpholin-4-ium-4-ylmethyl)benzoyl]amino]-N-[(1R)-1-phenylethyl]benzamide Formula: C27H30N3O3+ MolecularWeight: 444.5454

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NC(=O)C2=CC=CC=C2NC(=O)C3=CC=C(C=C3)C[NH+]4CCOCC4

Isomeric SMILES

C[C@H](C1=CC=CC=C1)NC(=O)C2=CC=CC=C2NC(=O)C3=CC=C(C=C3)C[NH+]4CCOCC4

InChI

InChI=1S/C27H29N3O3/c1-20(22-7-3-2-4-8-22)28-27(32)24-9-5-6-10-25(24)29-26(31)23-13-11-21(12-14-23)19-30-15-17-33-18-16-30/h2-14,20H,15-19H2,1H3,(H,28,32)(H,29,31)/p+1/t20-/m1/s1