[4-[(2,3-dimethoxyphenyl)methyl]piperazin-4-ium-1-yl]-thiophen-2-yl-methanone

Systemtic Name: [4-[(2,3-dimethoxyphenyl)methyl]piperazin-4-ium-1-yl]-thiophen-2-yl-methanone Openeye Name: [4-[(2,3-dimethoxyphenyl)methyl]piperazin-4-ium-1-yl]-(2-thienyl)methanone CAS Name: [4-[(2,3-dimethoxyphenyl)methyl]-1-piperazin-4-iumyl]-thiophen-2-ylmethanone IUPAC Name: [4-[(2,3-dimethoxyphenyl)methyl]piperazin-4-ium-1-yl]-thiophen-2-ylmethanone Traditional Name: (4-o-veratrylpiperazin-4-ium-1-yl)-(2-thienyl)methanone Formula: C18H23N2O3S+ MolecularWeight: 347.45182

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1OC)C[NH+]2CCN(CC2)C(=O)C3=CC=CS3

Isomeric SMILES

COC1=CC=CC(=C1OC)C[NH+]2CCN(CC2)C(=O)C3=CC=CS3

InChI

InChI=1S/C18H22N2O3S/c1-22-15-6-3-5-14(17(15)23-2)13-19-8-10-20(11-9-19)18(21)16-7-4-12-24-16/h3-7,12H,8-11,13H2,1-2H3/p+1