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

Systemtic Name: [2-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-4-ium-1-yl]carbonylphenyl]-thiophen-2-yl-methanone Openeye Name: [2-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-4-ium-1-carbonyl]phenyl]-(2-thienyl)methanone CAS Name: [2-[[4-[(3,4-dimethoxyphenyl)methyl]-1-piperazin-4-iumyl]-oxomethyl]phenyl]-thiophen-2-ylmethanone IUPAC Name: [2-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-4-ium-1-carbonyl]phenyl]-thiophen-2-ylmethanone Traditional Name: 2-thienyl-[2-(4-veratrylpiperazin-4-ium-1-carbonyl)phenyl]methanone Formula: C25H27N2O4S+ MolecularWeight: 451.55788

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C[NH+]2CCN(CC2)C(=O)C3=CC=CC=C3C(=O)C4=CC=CS4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C[NH+]2CCN(CC2)C(=O)C3=CC=CC=C3C(=O)C4=CC=CS4)OC

InChI

InChI=1S/C25H26N2O4S/c1-30-21-10-9-18(16-22(21)31-2)17-26-11-13-27(14-12-26)25(29)20-7-4-3-6-19(20)24(28)23-8-5-15-32-23/h3-10,15-16H,11-14,17H2,1-2H3/p+1