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

Systemtic Name: 1-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-4-ium-1-yl]-4-thiophen-2-yl-butane-1,4-dione Openeye Name: 1-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-4-ium-1-yl]-4-(2-thienyl)butane-1,4-dione CAS Name: 1-[4-[(2,5-dimethoxyphenyl)methyl]-1-piperazin-4-iumyl]-4-thiophen-2-ylbutane-1,4-dione IUPAC Name: 1-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-4-ium-1-yl]-4-thiophen-2-ylbutane-1,4-dione Traditional Name: 1-[4-(2,5-dimethoxybenzyl)piperazin-4-ium-1-yl]-4-(2-thienyl)butane-1,4-dione Formula: C21H27N2O4S+ MolecularWeight: 403.51508

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)C[NH+]2CCN(CC2)C(=O)CCC(=O)C3=CC=CS3

Isomeric SMILES

COC1=CC(=C(C=C1)OC)C[NH+]2CCN(CC2)C(=O)CCC(=O)C3=CC=CS3

InChI

InChI=1S/C21H26N2O4S/c1-26-17-5-7-19(27-2)16(14-17)15-22-9-11-23(12-10-22)21(25)8-6-18(24)20-4-3-13-28-20/h3-5,7,13-14H,6,8-12,15H2,1-2H3/p+1