(2S)-N-[(Z)-(5-bromanyl-2-methoxy-phenyl)methylideneamino]-2-morpholin-4-ium-4-yl-2-pyridin-4-yl-ethanamide

Systemtic Name: (2S)-N-[(Z)-(5-bromanyl-2-methoxy-phenyl)methylideneamino]-2-morpholin-4-ium-4-yl-2-pyridin-4-yl-ethanamide Openeye Name: (2S)-N-[(Z)-(5-bromo-2-methoxy-phenyl)methyleneamino]-2-morpholin-4-ium-4-yl-2-(4-pyridyl)acetamide CAS Name: (2S)-N-[(Z)-(5-bromo-2-methoxyphenyl)methylideneamino]-2-(4-morpholin-4-iumyl)-2-pyridin-4-ylacetamide IUPAC Name: (2S)-N-[(Z)-(5-bromo-2-methoxyphenyl)methylideneamino]-2-morpholin-4-ium-4-yl-2-pyridin-4-ylacetamide Traditional Name: (2S)-N-[(Z)-(5-bromo-2-methoxy-benzylidene)amino]-2-morpholin-4-ium-4-yl-2-(4-pyridyl)acetamide Formula: C19H22BrN4O3+ MolecularWeight: 434.30698

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)C=NNC(=O)C(C2=CC=NC=C2)[NH+]3CCOCC3

Isomeric SMILES

COC1=C(C=C(C=C1)Br)/C=N\NC(=O)[C@H](C2=CC=NC=C2)[NH+]3CCOCC3

InChI

InChI=1S/C19H21BrN4O3/c1-26-17-3-2-16(20)12-15(17)13-22-23-19(25)18(14-4-6-21-7-5-14)24-8-10-27-11-9-24/h2-7,12-13,18H,8-11H2,1H3,(H,23,25)/p+1/b22-13-/t18-/m0/s1