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

Systemtic Name: thiophen-2-yl-[4-[(2,4,5-trimethoxyphenyl)methyl]piperazin-4-ium-1-yl]methanone Openeye Name: 2-thienyl-[4-[(2,4,5-trimethoxyphenyl)methyl]piperazin-4-ium-1-yl]methanone CAS Name: thiophen-2-yl-[4-[(2,4,5-trimethoxyphenyl)methyl]-1-piperazin-4-iumyl]methanone IUPAC Name: thiophen-2-yl-[4-[(2,4,5-trimethoxyphenyl)methyl]piperazin-4-ium-1-yl]methanone Traditional Name: 2-thienyl-[4-(2,4,5-trimethoxybenzyl)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[NH+]2CCN(CC2)C(=O)C3=CC=CS3)OC)OC

Isomeric SMILES

COC1=CC(=C(C=C1C[NH+]2CCN(CC2)C(=O)C3=CC=CS3)OC)OC

InChI

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