(5-bromanyl-2-methoxy-phenyl)methyl-[3-[(3-cyanothiophen-2-yl)amino]-3-oxidanylidene-propyl]-methyl-azanium

Systemtic Name: (5-bromanyl-2-methoxy-phenyl)methyl-[3-[(3-cyanothiophen-2-yl)amino]-3-oxidanylidene-propyl]-methyl-azanium Openeye Name: (5-bromo-2-methoxy-phenyl)methyl-[3-[(3-cyano-2-thienyl)amino]-3-oxo-propyl]-methyl-ammonium CAS Name: (5-bromo-2-methoxyphenyl)methyl-[3-[(3-cyano-2-thiophenyl)amino]-3-oxopropyl]-methylammonium IUPAC Name: (5-bromo-2-methoxyphenyl)methyl-[3-[(3-cyanothiophen-2-yl)amino]-3-oxopropyl]-methylazanium Traditional Name: (5-bromo-2-methoxy-benzyl)-[3-[(3-cyano-2-thienyl)amino]-3-keto-propyl]-methyl-ammonium Formula: C17H19BrN3O2S+ MolecularWeight: 409.32066

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCC(=O)NC1=C(C=CS1)C#N)CC2=C(C=CC(=C2)Br)OC

Isomeric SMILES

C[NH+](CCC(=O)NC1=C(C=CS1)C#N)CC2=C(C=CC(=C2)Br)OC

InChI

InChI=1S/C17H18BrN3O2S/c1-21(11-13-9-14(18)3-4-15(13)23-2)7-5-16(22)20-17-12(10-19)6-8-24-17/h3-4,6,8-9H,5,7,11H2,1-2H3,(H,20,22)/p+1