(5-bromanylthiophen-2-yl)methyl-[2-oxidanylidene-2-[(phenylmethyl)amino]ethyl]-prop-2-enyl-azanium

Systemtic Name: (5-bromanylthiophen-2-yl)methyl-[2-oxidanylidene-2-[(phenylmethyl)amino]ethyl]-prop-2-enyl-azanium Openeye Name: allyl-[2-(benzylamino)-2-oxo-ethyl]-[(5-bromo-2-thienyl)methyl]ammonium CAS Name: (5-bromo-2-thiophenyl)methyl-[2-oxo-2-[(phenylmethyl)amino]ethyl]-prop-2-enylammonium IUPAC Name: [2-(benzylamino)-2-oxoethyl]-[(5-bromothiophen-2-yl)methyl]-prop-2-enylazanium Traditional Name: allyl-[2-(benzylamino)-2-keto-ethyl]-[(5-bromo-2-thienyl)methyl]ammonium Formula: C17H20BrN2OS+ MolecularWeight: 380.3225

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Descriptors Computed from Structure

Canonical SMILES:

C=CC[NH+](CC1=CC=C(S1)Br)CC(=O)NCC2=CC=CC=C2

Isomeric SMILES

C=CC[NH+](CC1=CC=C(S1)Br)CC(=O)NCC2=CC=CC=C2

InChI

InChI=1S/C17H19BrN2OS/c1-2-10-20(12-15-8-9-16(18)22-15)13-17(21)19-11-14-6-4-3-5-7-14/h2-9H,1,10-13H2,(H,19,21)/p+1