[4-[(2-phenoxyphenyl)methyl]piperazin-4-ium-1-yl]-thiophen-2-yl-methanone

Systemtic Name: [4-[(2-phenoxyphenyl)methyl]piperazin-4-ium-1-yl]-thiophen-2-yl-methanone Openeye Name: [4-[(2-phenoxyphenyl)methyl]piperazin-4-ium-1-yl]-(2-thienyl)methanone CAS Name: [4-[(2-phenoxyphenyl)methyl]-1-piperazin-4-iumyl]-thiophen-2-ylmethanone IUPAC Name: [4-[(2-phenoxyphenyl)methyl]piperazin-4-ium-1-yl]-thiophen-2-ylmethanone Traditional Name: [4-(2-phenoxybenzyl)piperazin-4-ium-1-yl]-(2-thienyl)methanone Formula: C22H23N2O2S+ MolecularWeight: 379.49522

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2OC3=CC=CC=C3)C(=O)C4=CC=CS4

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2OC3=CC=CC=C3)C(=O)C4=CC=CS4

InChI

InChI=1S/C22H22N2O2S/c25-22(21-11-6-16-27-21)24-14-12-23(13-15-24)17-18-7-4-5-10-20(18)26-19-8-2-1-3-9-19/h1-11,16H,12-15,17H2/p+1