(5-nitrothiophen-2-yl)-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone

Systemtic Name: (5-nitrothiophen-2-yl)-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone Openeye Name: (5-nitro-2-thienyl)-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone CAS Name: (5-nitro-2-thiophenyl)-[4-(2-pyridin-1-iumyl)-1-piperazinyl]methanone IUPAC Name: (5-nitrothiophen-2-yl)-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone Traditional Name: (5-nitro-2-thienyl)-(4-pyridin-1-ium-2-ylpiperazino)methanone Formula: C14H15N4O3S+ MolecularWeight: 319.3589

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)C3=CC=C(S3)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)C3=CC=C(S3)[N+](=O)[O-]

InChI

InChI=1S/C14H14N4O3S/c19-14(11-4-5-13(22-11)18(20)21)17-9-7-16(8-10-17)12-3-1-2-6-15-12/h1-6H,7-10H2/p+1