1-[2-oxidanyl-1-[2-phenylmethoxy-4-(5-phenylpentoxy)phenyl]piperidin-1-ium-1-yl]butan-1-one

Systemtic Name: 1-[2-oxidanyl-1-[2-phenylmethoxy-4-(5-phenylpentoxy)phenyl]piperidin-1-ium-1-yl]butan-1-one Openeye Name: 1-[1-[2-benzyloxy-4-(5-phenylpentoxy)phenyl]-2-hydroxy-piperidin-1-ium-1-yl]butan-1-one CAS Name: 1-[2-hydroxy-1-[2-phenylmethoxy-4-(5-phenylpentoxy)phenyl]-1-piperidin-1-iumyl]-1-butanone IUPAC Name: 1-[2-hydroxy-1-[2-phenylmethoxy-4-(5-phenylpentoxy)phenyl]piperidin-1-ium-1-yl]butan-1-one Traditional Name: 1-[1-[2-benzoxy-4-(5-phenylpentoxy)phenyl]-2-hydroxy-piperidin-1-ium-1-yl]butan-1-one Formula: C33H42NO4+ MolecularWeight: 516.69088

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)[N+]1(CCCCC1O)C2=C(C=C(C=C2)OCCCCCC3=CC=CC=C3)OCC4=CC=CC=C4

Isomeric SMILES

CCCC(=O)[N+]1(CCCCC1O)C2=C(C=C(C=C2)OCCCCCC3=CC=CC=C3)OCC4=CC=CC=C4

InChI

InChI=1S/C33H42NO4/c1-2-14-32(35)34(23-12-11-20-33(34)36)30-22-21-29(25-31(30)38-26-28-18-8-4-9-19-28)37-24-13-5-10-17-27-15-6-3-7-16-27/h3-4,6-9,15-16,18-19,21-22,25,33,36H,2,5,10-14,17,20,23-24,26H2,1H3/q+1