(3-methylbenzo[g][1]benzofuran-2-yl)-[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-yl]methanone

Systemtic Name: (3-methylbenzo[g][1]benzofuran-2-yl)-[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-yl]methanone Openeye Name: (3-methylbenzo[g]benzofuran-2-yl)-[4-(3-thienylmethyl)piperazin-4-ium-1-yl]methanone CAS Name: (3-methyl-2-benzo[g]benzofuranyl)-[4-(3-thiophenylmethyl)-1-piperazin-4-iumyl]methanone IUPAC Name: (3-methylbenzo[g][1]benzofuran-2-yl)-[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-yl]methanone Traditional Name: (3-methylbenzo[g]benzofuran-2-yl)-[4-(3-thenyl)piperazin-4-ium-1-yl]methanone Formula: C23H23N2O2S+ MolecularWeight: 391.50592

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C1C=CC3=CC=CC=C32)C(=O)N4CC[NH+](CC4)CC5=CSC=C5

Isomeric SMILES

CC1=C(OC2=C1C=CC3=CC=CC=C32)C(=O)N4CC[NH+](CC4)CC5=CSC=C5

InChI

InChI=1S/C23H22N2O2S/c1-16-19-7-6-18-4-2-3-5-20(18)22(19)27-21(16)23(26)25-11-9-24(10-12-25)14-17-8-13-28-15-17/h2-8,13,15H,9-12,14H2,1H3/p+1