[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-yl]-(2,4,5-trimethoxyphenyl)methanone

Systemtic Name: [4-(thiophen-3-ylmethyl)piperazin-4-ium-1-yl]-(2,4,5-trimethoxyphenyl)methanone Openeye Name: [4-(3-thienylmethyl)piperazin-4-ium-1-yl]-(2,4,5-trimethoxyphenyl)methanone CAS Name: [4-(3-thiophenylmethyl)-1-piperazin-4-iumyl]-(2,4,5-trimethoxyphenyl)methanone IUPAC Name: [4-(thiophen-3-ylmethyl)piperazin-4-ium-1-yl]-(2,4,5-trimethoxyphenyl)methanone Traditional Name: asaryl-[4-(3-thenyl)piperazin-4-ium-1-yl]methanone Formula: C19H25N2O4S+ MolecularWeight: 377.4778

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1C(=O)N2CC[NH+](CC2)CC3=CSC=C3)OC)OC

Isomeric SMILES

COC1=CC(=C(C=C1C(=O)N2CC[NH+](CC2)CC3=CSC=C3)OC)OC

InChI

InChI=1S/C19H24N2O4S/c1-23-16-11-18(25-3)17(24-2)10-15(16)19(22)21-7-5-20(6-8-21)12-14-4-9-26-13-14/h4,9-11,13H,5-8,12H2,1-3H3/p+1