1-(2,5-dimethylthiophen-3-yl)-4-[4-[(4-methoxyphenyl)methyl]piperazin-4-ium-1-yl]butane-1,4-dione

Systemtic Name: 1-(2,5-dimethylthiophen-3-yl)-4-[4-[(4-methoxyphenyl)methyl]piperazin-4-ium-1-yl]butane-1,4-dione Openeye Name: 1-(2,5-dimethyl-3-thienyl)-4-[4-[(4-methoxyphenyl)methyl]piperazin-4-ium-1-yl]butane-1,4-dione CAS Name: 1-(2,5-dimethyl-3-thiophenyl)-4-[4-[(4-methoxyphenyl)methyl]-1-piperazin-4-iumyl]butane-1,4-dione IUPAC Name: 1-(2,5-dimethylthiophen-3-yl)-4-[4-[(4-methoxyphenyl)methyl]piperazin-4-ium-1-yl]butane-1,4-dione Traditional Name: 1-(2,5-dimethyl-3-thienyl)-4-(4-p-anisylpiperazin-4-ium-1-yl)butane-1,4-dione Formula: C22H29N2O3S+ MolecularWeight: 401.54226

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(S1)C)C(=O)CCC(=O)N2CC[NH+](CC2)CC3=CC=C(C=C3)OC

Isomeric SMILES

CC1=CC(=C(S1)C)C(=O)CCC(=O)N2CC[NH+](CC2)CC3=CC=C(C=C3)OC

InChI

InChI=1S/C22H28N2O3S/c1-16-14-20(17(2)28-16)21(25)8-9-22(26)24-12-10-23(11-13-24)15-18-4-6-19(27-3)7-5-18/h4-7,14H,8-13,15H2,1-3H3/p+1