[(E)-3-(4-bromophenyl)prop-2-enyl]-[2-(isoquinolin-5-ylsulfonylamino)ethyl]azanium

Systemtic Name: [(E)-3-(4-bromophenyl)prop-2-enyl]-[2-(isoquinolin-5-ylsulfonylamino)ethyl]azanium Openeye Name: [(E)-3-(4-bromophenyl)allyl]-[2-(5-isoquinolylsulfonylamino)ethyl]ammonium CAS Name: [(E)-3-(4-bromophenyl)prop-2-enyl]-[2-(5-isoquinolinylsulfonylamino)ethyl]ammonium IUPAC Name: [(E)-3-(4-bromophenyl)prop-2-enyl]-[2-(isoquinolin-5-ylsulfonylamino)ethyl]azanium Traditional Name: [(E)-3-(4-bromophenyl)allyl]-[2-(5-isoquinolylsulfonylamino)ethyl]ammonium Formula: C20H21BrN3O2S+ MolecularWeight: 447.36864

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=CN=C2)C(=C1)S(=O)(=O)NCC[NH2+]CC=CC3=CC=C(C=C3)Br

Isomeric SMILES

C1=CC2=C(C=CN=C2)C(=C1)S(=O)(=O)NCC[NH2+]C/C=C/C3=CC=C(C=C3)Br

InChI

InChI=1S/C20H20BrN3O2S/c21-18-8-6-16(7-9-18)3-2-11-22-13-14-24-27(25,26)20-5-1-4-17-15-23-12-10-19(17)20/h1-10,12,15,22,24H,11,13-14H2/p+1/b3-2+