[5-[(Z)-N-[(4-bromanyl-1H-pyrrol-2-yl)carbonylamino]-C-methyl-carbonimidoyl]-2-methoxy-phenyl]methyl-diethyl-azanium

Systemtic Name: [5-[(Z)-N-[(4-bromanyl-1H-pyrrol-2-yl)carbonylamino]-C-methyl-carbonimidoyl]-2-methoxy-phenyl]methyl-diethyl-azanium Openeye Name: [5-[(Z)-N-[(4-bromo-1H-pyrrole-2-carbonyl)amino]-C-methyl-carbonimidoyl]-2-methoxy-phenyl]methyl-diethyl-ammonium CAS Name: [5-[(1Z)-1-[[(4-bromo-1H-pyrrol-2-yl)-oxomethyl]hydrazinylidene]ethyl]-2-methoxyphenyl]methyl-diethylammonium IUPAC Name: [5-[(Z)-N-[(4-bromo-1H-pyrrole-2-carbonyl)amino]-C-methylcarbonimidoyl]-2-methoxyphenyl]methyl-diethylazanium Traditional Name: [5-[(Z)-N-[(4-bromo-1H-pyrrole-2-carbonyl)amino]-C-methyl-carbonimidoyl]-2-methoxy-benzyl]-diethyl-ammonium Formula: C19H26BrN4O2+ MolecularWeight: 422.33934

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CC1=C(C=CC(=C1)C(=NNC(=O)C2=CC(=CN2)Br)C)OC

Isomeric SMILES

CC[NH+](CC)CC1=C(C=CC(=C1)/C(=N\NC(=O)C2=CC(=CN2)Br)/C)OC

InChI

InChI=1S/C19H25BrN4O2/c1-5-24(6-2)12-15-9-14(7-8-18(15)26-4)13(3)22-23-19(25)17-10-16(20)11-21-17/h7-11,21H,5-6,12H2,1-4H3,(H,23,25)/p+1/b22-13-