tert-butyl 3-[(1-methylquinolin-1-ium-7-yl)methoxy]-4-[4-(3-phenylmethoxypropoxy)phenyl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 3-[(1-methylquinolin-1-ium-7-yl)methoxy]-4-[4-(3-phenylmethoxypropoxy)phenyl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[4-(3-benzyloxypropoxy)phenyl]-3-[(1-methylquinolin-1-ium-7-yl)methoxy]piperidine-1-carboxylate CAS Name: 3-[(1-methyl-7-quinolin-1-iumyl)methoxy]-4-[4-(3-phenylmethoxypropoxy)phenyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-[(1-methylquinolin-1-ium-7-yl)methoxy]-4-[4-(3-phenylmethoxypropoxy)phenyl]piperidine-1-carboxylate Traditional Name: 4-[4-(3-benzoxypropoxy)phenyl]-3-[(1-methylquinolin-1-ium-7-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)N1CCC(C(C1)OCC2=CC3=C(C=CC=[N+]3C)C=C2)C4=CC=C(C=C4)OCCCOCC5=CC=CC=C5

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(C(C1)OCC2=CC3=C(C=CC=[N+]3C)C=C2)C4=CC=C(C=C4)OCCCOCC5=CC=CC=C5

InChI

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