2-(4-chloranyl-3-methyl-phenoxy)-N-[(1S)-2-morpholin-4-ium-4-yl-1-phenyl-ethyl]ethanamide

Systemtic Name: 2-(4-chloranyl-3-methyl-phenoxy)-N-[(1S)-2-morpholin-4-ium-4-yl-1-phenyl-ethyl]ethanamide Openeye Name: 2-(4-chloro-3-methyl-phenoxy)-N-[(1S)-2-morpholin-4-ium-4-yl-1-phenyl-ethyl]acetamide CAS Name: 2-(4-chloro-3-methylphenoxy)-N-[(1S)-2-(4-morpholin-4-iumyl)-1-phenylethyl]acetamide IUPAC Name: 2-(4-chloro-3-methylphenoxy)-N-[(1S)-2-morpholin-4-ium-4-yl-1-phenylethyl]acetamide Traditional Name: 2-(4-chloro-3-methyl-phenoxy)-N-[(1S)-2-morpholin-4-ium-4-yl-1-phenyl-ethyl]acetamide Formula: C21H26ClN2O3+ MolecularWeight: 389.89574

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OCC(=O)NC(C[NH+]2CCOCC2)C3=CC=CC=C3)Cl

Isomeric SMILES

CC1=C(C=CC(=C1)OCC(=O)N[C@H](C[NH+]2CCOCC2)C3=CC=CC=C3)Cl

InChI

InChI=1S/C21H25ClN2O3/c1-16-13-18(7-8-19(16)22)27-15-21(25)23-20(17-5-3-2-4-6-17)14-24-9-11-26-12-10-24/h2-8,13,20H,9-12,14-15H2,1H3,(H,23,25)/p+1/t20-/m1/s1