3-bromanyl-4-methoxy-N-[(1S)-1-(4-methylphenyl)-2-morpholin-4-ium-4-yl-ethyl]benzamide

Systemtic Name: 3-bromanyl-4-methoxy-N-[(1S)-1-(4-methylphenyl)-2-morpholin-4-ium-4-yl-ethyl]benzamide Openeye Name: 3-bromo-4-methoxy-N-[(1S)-2-morpholin-4-ium-4-yl-1-(p-tolyl)ethyl]benzamide CAS Name: 3-bromo-4-methoxy-N-[(1S)-1-(4-methylphenyl)-2-(4-morpholin-4-iumyl)ethyl]benzamide IUPAC Name: 3-bromo-4-methoxy-N-[(1S)-1-(4-methylphenyl)-2-morpholin-4-ium-4-ylethyl]benzamide Traditional Name: 3-bromo-4-methoxy-N-[(1S)-2-morpholin-4-ium-4-yl-1-(p-tolyl)ethyl]benzamide Formula: C21H26BrN2O3+ MolecularWeight: 434.34674

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=CC=C(C=C1)[C@@H](C[NH+]2CCOCC2)NC(=O)C3=CC(=C(C=C3)OC)Br

InChI

InChI=1S/C21H25BrN2O3/c1-15-3-5-16(6-4-15)19(14-24-9-11-27-12-10-24)23-21(25)17-7-8-20(26-2)18(22)13-17/h3-8,13,19H,9-12,14H2,1-2H3,(H,23,25)/p+1/t19-/m1/s1