4-piperidin-1-yl-1-thiophen-2-yl-butan-2-one; 2,4,6-trimethoxybenzoic acid

Systemtic Name: 4-piperidin-1-yl-1-thiophen-2-yl-butan-2-one; 2,4,6-trimethoxybenzoic acid Openeye Name: 4-(1-piperidyl)-1-(2-thienyl)butan-2-one; 2,4,6-trimethoxybenzoic acid CAS Name: 4-(1-piperidinyl)-1-thiophen-2-yl-2-butanone; 2,4,6-trimethoxybenzoic acid IUPAC Name: 4-piperidin-1-yl-1-thiophen-2-ylbutan-2-one; 2,4,6-trimethoxybenzoic acid Traditional Name: 4-piperidino-1-(2-thienyl)butan-2-one; 2,4,6-trimethoxybenzoic acid Formula: C23H31NO6S MolecularWeight: 449.56034

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C(=C1)OC)C(=O)O)OC.C1CCN(CC1)CCC(=O)CC2=CC=CS2

Isomeric SMILES

COC1=CC(=C(C(=C1)OC)C(=O)O)OC.C1CCN(CC1)CCC(=O)CC2=CC=CS2

InChI

InChI=1S/C13H19NOS.C10H12O5/c15-12(11-13-5-4-10-16-13)6-9-14-7-2-1-3-8-14;1-13-6-4-7(14-2)9(10(11)12)8(5-6)15-3/h4-5,10H,1-3,6-9,11H2;4-5H,1-3H3,(H,11,12)