2-[4-[4-[(5-nitrothiophen-2-yl)methylideneamino]phenyl]piperazin-1-ium-1-yl]ethanol

Systemtic Name: 2-[4-[4-[(5-nitrothiophen-2-yl)methylideneamino]phenyl]piperazin-1-ium-1-yl]ethanol Openeye Name: 2-[4-[4-[(5-nitro-2-thienyl)methyleneamino]phenyl]piperazin-1-ium-1-yl]ethanol CAS Name: 2-[4-[4-[(5-nitro-2-thiophenyl)methylideneamino]phenyl]-1-piperazin-1-iumyl]ethanol IUPAC Name: 2-[4-[4-[(5-nitrothiophen-2-yl)methylideneamino]phenyl]piperazin-1-ium-1-yl]ethanol Traditional Name: 2-[4-[4-[(5-nitro-2-thienyl)methyleneamino]phenyl]piperazin-1-ium-1-yl]ethanol Formula: C17H21N4O3S+ MolecularWeight: 361.43864

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCO)C2=CC=C(C=C2)N=CC3=CC=C(S3)[N+](=O)[O-]

Isomeric SMILES

C1CN(CC[NH+]1CCO)C2=CC=C(C=C2)N=CC3=CC=C(S3)[N+](=O)[O-]

InChI

InChI=1S/C17H20N4O3S/c22-12-11-19-7-9-20(10-8-19)15-3-1-14(2-4-15)18-13-16-5-6-17(25-16)21(23)24/h1-6,13,22H,7-12H2/p+1