(3R,4R)-1-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-4-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)piperidin-1-ium-3-ol

Systemtic Name: (3R,4R)-1-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-4-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)piperidin-1-ium-3-ol Openeye Name: (3R,4R)-1-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-4-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)piperidin-1-ium-3-ol CAS Name: (3R,4R)-1-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-4-[4-(2-pyridin-1-iumyl)-1-piperazin-1-iumyl]-3-piperidin-1-iumol IUPAC Name: (3R,4R)-1-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-4-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)piperidin-1-ium-3-ol Traditional Name: (3R,4R)-1-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-4-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)piperidin-1-ium-3-ol Formula: C23H33N4O4+3 MolecularWeight: 429.53252

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC2=C1OCO2)C[NH+]3CCC(C(C3)O)[NH+]4CCN(CC4)C5=CC=CC=[NH+]5

Isomeric SMILES

COC1=CC(=CC2=C1OCO2)C[NH+]3CC[C@H]([C@@H](C3)O)[NH+]4CCN(CC4)C5=CC=CC=[NH+]5

InChI

InChI=1S/C23H30N4O4/c1-29-20-12-17(13-21-23(20)31-16-30-21)14-25-7-5-18(19(28)15-25)26-8-10-27(11-9-26)22-4-2-3-6-24-22/h2-4,6,12-13,18-19,28H,5,7-11,14-16H2,1H3/p+3/t18-,19-/m1/s1