[4-[(5-phenylthiophen-2-yl)methyl]piperazin-4-ium-1-yl]-pyridin-2-yl-methanone

Systemtic Name: [4-[(5-phenylthiophen-2-yl)methyl]piperazin-4-ium-1-yl]-pyridin-2-yl-methanone Openeye Name: [4-[(5-phenyl-2-thienyl)methyl]piperazin-4-ium-1-yl]-(2-pyridyl)methanone CAS Name: [4-[(5-phenyl-2-thiophenyl)methyl]-1-piperazin-4-iumyl]-(2-pyridinyl)methanone IUPAC Name: [4-[(5-phenylthiophen-2-yl)methyl]piperazin-4-ium-1-yl]-pyridin-2-ylmethanone Traditional Name: [4-[(5-phenyl-2-thienyl)methyl]piperazin-4-ium-1-yl]-(2-pyridyl)methanone Formula: C21H22N3OS+ MolecularWeight: 364.48388

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=C(S2)C3=CC=CC=C3)C(=O)C4=CC=CC=N4

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=C(S2)C3=CC=CC=C3)C(=O)C4=CC=CC=N4

InChI

InChI=1S/C21H21N3OS/c25-21(19-8-4-5-11-22-19)24-14-12-23(13-15-24)16-18-9-10-20(26-18)17-6-2-1-3-7-17/h1-11H,12-16H2/p+1