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

Systemtic Name: [2-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-4-ium-1-yl]carbonylphenyl]-thiophen-2-yl-methanone Openeye Name: [2-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-4-ium-1-carbonyl]phenyl]-(2-thienyl)methanone CAS Name: [2-[[4-[(2,5-dimethoxyphenyl)methyl]-1-piperazin-4-iumyl]-oxomethyl]phenyl]-thiophen-2-ylmethanone IUPAC Name: [2-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-4-ium-1-carbonyl]phenyl]-thiophen-2-ylmethanone Traditional Name: [2-[4-(2,5-dimethoxybenzyl)piperazin-4-ium-1-carbonyl]phenyl]-(2-thienyl)methanone Formula: C25H27N2O4S+ MolecularWeight: 451.55788

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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