(5-bromanyl-2-methoxy-phenyl)methyl-[2-[(1-cyanocycloheptyl)amino]-2-oxidanylidene-ethyl]-methyl-azanium

Systemtic Name: (5-bromanyl-2-methoxy-phenyl)methyl-[2-[(1-cyanocycloheptyl)amino]-2-oxidanylidene-ethyl]-methyl-azanium Openeye Name: (5-bromo-2-methoxy-phenyl)methyl-[2-[(1-cyanocycloheptyl)amino]-2-oxo-ethyl]-methyl-ammonium CAS Name: (5-bromo-2-methoxyphenyl)methyl-[2-[(1-cyanocycloheptyl)amino]-2-oxoethyl]-methylammonium IUPAC Name: (5-bromo-2-methoxyphenyl)methyl-[2-[(1-cyanocycloheptyl)amino]-2-oxoethyl]-methylazanium Traditional Name: (5-bromo-2-methoxy-benzyl)-[2-[(1-cyanocycloheptyl)amino]-2-keto-ethyl]-methyl-ammonium Formula: C19H27BrN3O2+ MolecularWeight: 409.34058

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=C(C=CC(=C1)Br)OC)CC(=O)NC2(CCCCCC2)C#N

Isomeric SMILES

C[NH+](CC1=C(C=CC(=C1)Br)OC)CC(=O)NC2(CCCCCC2)C#N

InChI

InChI=1S/C19H26BrN3O2/c1-23(12-15-11-16(20)7-8-17(15)25-2)13-18(24)22-19(14-21)9-5-3-4-6-10-19/h7-8,11H,3-6,9-10,12-13H2,1-2H3,(H,22,24)/p+1