(3R,4R)-1-[(3-cyclopentyloxyphenyl)methyl]-4-morpholin-4-ium-4-yl-piperidin-1-ium-3-ol

Systemtic Name: (3R,4R)-1-[(3-cyclopentyloxyphenyl)methyl]-4-morpholin-4-ium-4-yl-piperidin-1-ium-3-ol Openeye Name: (3R,4R)-1-[[3-(cyclopentoxy)phenyl]methyl]-4-morpholin-4-ium-4-yl-piperidin-1-ium-3-ol CAS Name: (3R,4R)-1-[(3-cyclopentyloxyphenyl)methyl]-4-(4-morpholin-4-iumyl)-3-piperidin-1-iumol IUPAC Name: (3R,4R)-1-[(3-cyclopentyloxyphenyl)methyl]-4-morpholin-4-ium-4-ylpiperidin-1-ium-3-ol Traditional Name: (3R,4R)-1-[3-(cyclopentoxy)benzyl]-4-morpholin-4-ium-4-yl-piperidin-1-ium-3-ol Formula: C21H34N2O3+2 MolecularWeight: 362.50626

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)OC2=CC=CC(=C2)C[NH+]3CCC(C(C3)O)[NH+]4CCOCC4

Isomeric SMILES

C1CCC(C1)OC2=CC=CC(=C2)C[NH+]3CC[C@H]([C@@H](C3)O)[NH+]4CCOCC4

InChI

InChI=1S/C21H32N2O3/c24-21-16-22(9-8-20(21)23-10-12-25-13-11-23)15-17-4-3-7-19(14-17)26-18-5-1-2-6-18/h3-4,7,14,18,20-21,24H,1-2,5-6,8-13,15-16H2/p+2/t20-,21-/m1/s1