(5-bromanylthiophen-2-yl)methyl-[2-[(4-dimethylaminophenyl)methylamino]-2-oxidanylidene-ethyl]-prop-2-enyl-azanium

Systemtic Name: (5-bromanylthiophen-2-yl)methyl-[2-[(4-dimethylaminophenyl)methylamino]-2-oxidanylidene-ethyl]-prop-2-enyl-azanium Openeye Name: allyl-[(5-bromo-2-thienyl)methyl]-[2-[(4-dimethylaminophenyl)methylamino]-2-oxo-ethyl]ammonium CAS Name: (5-bromo-2-thiophenyl)methyl-[2-[(4-dimethylaminophenyl)methylamino]-2-oxoethyl]-prop-2-enylammonium IUPAC Name: (5-bromothiophen-2-yl)methyl-[2-[(4-dimethylaminophenyl)methylamino]-2-oxoethyl]-prop-2-enylazanium Traditional Name: allyl-[(5-bromo-2-thienyl)methyl]-[2-[[4-(dimethylamino)benzyl]amino]-2-keto-ethyl]ammonium Formula: C19H25BrN3OS+ MolecularWeight: 423.3903

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)CNC(=O)C[NH+](CC=C)CC2=CC=C(S2)Br

Isomeric SMILES

CN(C)C1=CC=C(C=C1)CNC(=O)C[NH+](CC=C)CC2=CC=C(S2)Br

InChI

InChI=1S/C19H24BrN3OS/c1-4-11-23(13-17-9-10-18(20)25-17)14-19(24)21-12-15-5-7-16(8-6-15)22(2)3/h4-10H,1,11-14H2,2-3H3,(H,21,24)/p+1