3-(6H-benzo[c][1,5]benzoxathiepin-6-ylmethyl)-1-methyl-piperidine; ethanedioic acid

Systemtic Name: 3-(6H-benzo[c][1,5]benzoxathiepin-6-ylmethyl)-1-methyl-piperidine; ethanedioic acid Openeye Name: 3-(6H-benzo[c][1,5]benzoxathiepin-6-ylmethyl)-1-methyl-piperidine; oxalic acid CAS Name: 3-(6H-benzo[c][1,5]benzoxathiepin-6-ylmethyl)-1-methylpiperidine; oxalic acid IUPAC Name: 3-(6H-benzo[c][1,5]benzoxathiepin-6-ylmethyl)-1-methylpiperidine; oxalic acid Traditional Name: 3-(6H-benzo[c][1,5]benzoxathiepin-6-ylmethyl)-1-methyl-piperidine; oxalic acid Formula: C22H25NO5S MolecularWeight: 415.5026

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCCC(C1)CC2C3=CC=CC=C3SC4=CC=CC=C4O2.C(=O)(C(=O)O)O

Isomeric SMILES

CN1CCCC(C1)CC2C3=CC=CC=C3SC4=CC=CC=C4O2.C(=O)(C(=O)O)O

InChI

InChI=1S/C20H23NOS.C2H2O4/c1-21-12-6-7-15(14-21)13-18-16-8-2-4-10-19(16)23-20-11-5-3-9-17(20)22-18;3-1(4)2(5)6/h2-5,8-11,15,18H,6-7,12-14H2,1H3;(H,3,4)(H,5,6)