(4-phenoxyphenyl)-[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-yl]methanone

Systemtic Name: (4-phenoxyphenyl)-[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-yl]methanone Openeye Name: (4-phenoxyphenyl)-[4-(3-thienylmethyl)piperazin-4-ium-1-yl]methanone CAS Name: (4-phenoxyphenyl)-[4-(3-thiophenylmethyl)-1-piperazin-4-iumyl]methanone IUPAC Name: (4-phenoxyphenyl)-[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-yl]methanone Traditional Name: (4-phenoxyphenyl)-[4-(3-thenyl)piperazin-4-ium-1-yl]methanone Formula: C22H23N2O2S+ MolecularWeight: 379.49522

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CSC=C2)C(=O)C3=CC=C(C=C3)OC4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1CC2=CSC=C2)C(=O)C3=CC=C(C=C3)OC4=CC=CC=C4

InChI

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