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

Systemtic Name: 3-bromanyl-4-methoxy-N-[(1S)-2-morpholin-4-ium-4-yl-1-phenyl-ethyl]benzamide Openeye Name: 3-bromo-4-methoxy-N-[(1S)-2-morpholin-4-ium-4-yl-1-phenyl-ethyl]benzamide CAS Name: 3-bromo-4-methoxy-N-[(1S)-2-(4-morpholin-4-iumyl)-1-phenylethyl]benzamide IUPAC Name: 3-bromo-4-methoxy-N-[(1S)-2-morpholin-4-ium-4-yl-1-phenylethyl]benzamide Traditional Name: 3-bromo-4-methoxy-N-[(1S)-2-morpholin-4-ium-4-yl-1-phenyl-ethyl]benzamide Formula: C20H24BrN2O3+ MolecularWeight: 420.32016

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NC(C[NH+]2CCOCC2)C3=CC=CC=C3)Br

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)N[C@H](C[NH+]2CCOCC2)C3=CC=CC=C3)Br

InChI

InChI=1S/C20H23BrN2O3/c1-25-19-8-7-16(13-17(19)21)20(24)22-18(15-5-3-2-4-6-15)14-23-9-11-26-12-10-23/h2-8,13,18H,9-12,14H2,1H3,(H,22,24)/p+1/t18-/m1/s1