ethanedioic acid; 1-[[2-(4-methylpiperidin-1-yl)-2-thiophen-2-yl-ethyl]amino]-3-phenoxy-propan-2-ol

Systemtic Name: ethanedioic acid; 1-[[2-(4-methylpiperidin-1-yl)-2-thiophen-2-yl-ethyl]amino]-3-phenoxy-propan-2-ol Openeye Name: 1-[[2-(4-methyl-1-piperidyl)-2-(2-thienyl)ethyl]amino]-3-phenoxy-propan-2-ol; oxalic acid CAS Name: 1-[[2-(4-methyl-1-piperidinyl)-2-thiophen-2-ylethyl]amino]-3-phenoxy-2-propanol; oxalic acid IUPAC Name: 1-[[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]amino]-3-phenoxypropan-2-ol; oxalic acid Traditional Name: 1-[[2-(4-methylpiperidino)-2-(2-thienyl)ethyl]amino]-3-phenoxy-propan-2-ol; oxalic acid Formula: C23H32N2O6S MolecularWeight: 464.57498

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C(CNCC(COC2=CC=CC=C2)O)C3=CC=CS3.C(=O)(C(=O)O)O

Isomeric SMILES

CC1CCN(CC1)C(CNCC(COC2=CC=CC=C2)O)C3=CC=CS3.C(=O)(C(=O)O)O

InChI

InChI=1S/C21H30N2O2S.C2H2O4/c1-17-9-11-23(12-10-17)20(21-8-5-13-26-21)15-22-14-18(24)16-25-19-6-3-2-4-7-19;3-1(4)2(5)6/h2-8,13,17-18,20,22,24H,9-12,14-16H2,1H3;(H,3,4)(H,5,6)