methyl 8-methyl-3-phenylmethoxy-8-azabicyclo[3.2.1]octane-4-carboxylate; naphthalene-1,5-disulfonic acid

Systemtic Name: methyl 8-methyl-3-phenylmethoxy-8-azabicyclo[3.2.1]octane-4-carboxylate; naphthalene-1,5-disulfonic acid Openeye Name: methyl 3-benzyloxy-8-methyl-8-azabicyclo[3.2.1]octane-4-carboxylate; naphthalene-1,5-disulfonic acid CAS Name: 8-methyl-3-phenylmethoxy-8-azabicyclo[3.2.1]octane-4-carboxylic acid methyl ester; naphthalene-1,5-disulfonic acid IUPAC Name: methyl 8-methyl-3-phenylmethoxy-8-azabicyclo[3.2.1]octane-4-carboxylate; naphthalene-1,5-disulfonic acid Traditional Name: 3-benzoxy-8-methyl-8-azabicyclo[3.2.1]octane-4-carboxylic acid methyl ester; naphthalene-1,5-disulfonic acid Formula: C27H31NO9S2 MolecularWeight: 577.66634

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2CCC1C(C(C2)OCC3=CC=CC=C3)C(=O)OC.C1=CC2=C(C=CC=C2S(=O)(=O)O)C(=C1)S(=O)(=O)O

Isomeric SMILES

CN1C2CCC1C(C(C2)OCC3=CC=CC=C3)C(=O)OC.C1=CC2=C(C=CC=C2S(=O)(=O)O)C(=C1)S(=O)(=O)O

InChI

InChI=1S/C17H23NO3.C10H8O6S2/c1-18-13-8-9-14(18)16(17(19)20-2)15(10-13)21-11-12-6-4-3-5-7-12;11-17(12,13)9-5-1-3-7-8(9)4-2-6-10(7)18(14,15)16/h3-7,13-16H,8-11H2,1-2H3;1-6H,(H,11,12,13)(H,14,15,16)