[4-(1-benzothiophen-3-ylmethyl)piperazin-4-ium-1-yl]-[3-(4-fluorophenyl)imidazol-4-yl]methanone

Systemtic Name: [4-(1-benzothiophen-3-ylmethyl)piperazin-4-ium-1-yl]-[3-(4-fluorophenyl)imidazol-4-yl]methanone Openeye Name: [4-(benzothiophen-3-ylmethyl)piperazin-4-ium-1-yl]-[3-(4-fluorophenyl)imidazol-4-yl]methanone CAS Name: [4-(1-benzothiophen-3-ylmethyl)-1-piperazin-4-iumyl]-[3-(4-fluorophenyl)-4-imidazolyl]methanone IUPAC Name: [4-(1-benzothiophen-3-ylmethyl)piperazin-4-ium-1-yl]-[3-(4-fluorophenyl)imidazol-4-yl]methanone Traditional Name: [4-(benzothiophen-3-ylmethyl)piperazin-4-ium-1-yl]-[3-(4-fluorophenyl)imidazol-4-yl]methanone Formula: C23H22FN4OS+ MolecularWeight: 421.510383

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CSC3=CC=CC=C32)C(=O)C4=CN=CN4C5=CC=C(C=C5)F

Isomeric SMILES

C1CN(CC[NH+]1CC2=CSC3=CC=CC=C32)C(=O)C4=CN=CN4C5=CC=C(C=C5)F

InChI

InChI=1S/C23H21FN4OS/c24-18-5-7-19(8-6-18)28-16-25-13-21(28)23(29)27-11-9-26(10-12-27)14-17-15-30-22-4-2-1-3-20(17)22/h1-8,13,15-16H,9-12,14H2/p+1