O3-tert-butyl O1-(phenylmethyl) 4-(3-cyclopentyloxy-4-methoxy-phenyl)-1-methyl-pyrrolidin-1-ium-1,3-dicarboxylate

Systemtic Name: O3-tert-butyl O1-(phenylmethyl) 4-(3-cyclopentyloxy-4-methoxy-phenyl)-1-methyl-pyrrolidin-1-ium-1,3-dicarboxylate Openeye Name: O1-benzyl O3-tert-butyl 4-[3-(cyclopentoxy)-4-methoxy-phenyl]-1-methyl-pyrrolidin-1-ium-1,3-dicarboxylate CAS Name: 4-(3-cyclopentyloxy-4-methoxyphenyl)-1-methylpyrrolidin-1-ium-1,3-dicarboxylic acid O3-tert-butyl ester O1-(phenylmethyl) ester IUPAC Name: 1-O-benzyl 3-O-tert-butyl 4-(3-cyclopentyloxy-4-methoxyphenyl)-1-methylpyrrolidin-1-ium-1,3-dicarboxylate Traditional Name: 4-[3-(cyclopentoxy)-4-methoxy-phenyl]-1-methyl-pyrrolidin-1-ium-1,3-dicarboxylic acid O1-benzyl ester O3-tert-butyl ester Formula: C30H40NO6+ MolecularWeight: 510.6417

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1C[N+](CC1C2=CC(=C(C=C2)OC)OC3CCCC3)(C)C(=O)OCC4=CC=CC=C4

Isomeric SMILES

CC(C)(C)OC(=O)C1C[N+](CC1C2=CC(=C(C=C2)OC)OC3CCCC3)(C)C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C30H40NO6/c1-30(2,3)37-28(32)25-19-31(4,29(33)35-20-21-11-7-6-8-12-21)18-24(25)22-15-16-26(34-5)27(17-22)36-23-13-9-10-14-23/h6-8,11-12,15-17,23-25H,9-10,13-14,18-20H2,1-5H3/q+1