tert-butyl 3-[(1-methylquinolin-1-ium-2-yl)-[4-(3-phenylmethoxypropoxy)phenyl]methoxy]piperidine-1-carboxylate

Systemtic Name: tert-butyl 3-[(1-methylquinolin-1-ium-2-yl)-[4-(3-phenylmethoxypropoxy)phenyl]methoxy]piperidine-1-carboxylate Openeye Name: tert-butyl 3-[[4-(3-benzyloxypropoxy)phenyl]-(1-methylquinolin-1-ium-2-yl)methoxy]piperidine-1-carboxylate CAS Name: 3-[(1-methyl-2-quinolin-1-iumyl)-[4-(3-phenylmethoxypropoxy)phenyl]methoxy]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-[(1-methylquinolin-1-ium-2-yl)-[4-(3-phenylmethoxypropoxy)phenyl]methoxy]piperidine-1-carboxylate Traditional Name: 3-[[4-(3-benzoxypropoxy)phenyl]-(1-methylquinolin-1-ium-2-yl)methoxy]piperidine-1-carboxylic acid tert-butyl ester Formula: C37H45N2O5+ MolecularWeight: 597.7636

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCCC(C1)OC(C2=CC=C(C=C2)OCCCOCC3=CC=CC=C3)C4=[N+](C5=CC=CC=C5C=C4)C

Isomeric SMILES

CC(C)(C)OC(=O)N1CCCC(C1)OC(C2=CC=C(C=C2)OCCCOCC3=CC=CC=C3)C4=[N+](C5=CC=CC=C5C=C4)C

InChI

InChI=1S/C37H45N2O5/c1-37(2,3)44-36(40)39-23-10-15-32(26-39)43-35(34-22-19-29-14-8-9-16-33(29)38(34)4)30-17-20-31(21-18-30)42-25-11-24-41-27-28-12-6-5-7-13-28/h5-9,12-14,16-22,32,35H,10-11,15,23-27H2,1-4H3/q+1