4-[(E)-3-[4-[(5-bromanylthiophen-2-yl)methyl]piperazin-4-ium-1-yl]-3-oxidanylidene-prop-1-enyl]benzenecarbonitrile

Systemtic Name: 4-[(E)-3-[4-[(5-bromanylthiophen-2-yl)methyl]piperazin-4-ium-1-yl]-3-oxidanylidene-prop-1-enyl]benzenecarbonitrile Openeye Name: 4-[(E)-3-[4-[(5-bromo-2-thienyl)methyl]piperazin-4-ium-1-yl]-3-oxo-prop-1-enyl]benzonitrile CAS Name: 4-[(E)-3-[4-[(5-bromo-2-thiophenyl)methyl]-1-piperazin-4-iumyl]-3-oxoprop-1-enyl]benzonitrile IUPAC Name: 4-[(E)-3-[4-[(5-bromothiophen-2-yl)methyl]piperazin-4-ium-1-yl]-3-oxoprop-1-enyl]benzonitrile Traditional Name: 4-[(E)-3-[4-[(5-bromo-2-thienyl)methyl]piperazin-4-ium-1-yl]-3-keto-prop-1-enyl]benzonitrile Formula: C19H19BrN3OS+ MolecularWeight: 417.34266

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=C(S2)Br)C(=O)C=CC3=CC=C(C=C3)C#N

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=C(S2)Br)C(=O)/C=C/C3=CC=C(C=C3)C#N

InChI

InChI=1S/C19H18BrN3OS/c20-18-7-6-17(25-18)14-22-9-11-23(12-10-22)19(24)8-5-15-1-3-16(13-21)4-2-15/h1-8H,9-12,14H2/p+1/b8-5+