(3R,4R)-1-[(2-prop-2-enoxyphenyl)methyl]-4-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)piperidin-1-ium-3-ol

Systemtic Name: (3R,4R)-1-[(2-prop-2-enoxyphenyl)methyl]-4-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)piperidin-1-ium-3-ol Openeye Name: (3R,4R)-1-[(2-allyloxyphenyl)methyl]-4-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)piperidin-1-ium-3-ol CAS Name: (3R,4R)-1-[(2-prop-2-enoxyphenyl)methyl]-4-[4-(2-pyridin-1-iumyl)-1-piperazin-1-iumyl]-3-piperidin-1-iumol IUPAC Name: (3R,4R)-1-[(2-prop-2-enoxyphenyl)methyl]-4-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)piperidin-1-ium-3-ol Traditional Name: (3R,4R)-1-(2-allyloxybenzyl)-4-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)piperidin-1-ium-3-ol Formula: C24H35N4O2+3 MolecularWeight: 411.5603

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Descriptors Computed from Structure

Canonical SMILES:

C=CCOC1=CC=CC=C1C[NH+]2CCC(C(C2)O)[NH+]3CCN(CC3)C4=CC=CC=[NH+]4

Isomeric SMILES

C=CCOC1=CC=CC=C1C[NH+]2CC[C@H]([C@@H](C2)O)[NH+]3CCN(CC3)C4=CC=CC=[NH+]4

InChI

InChI=1S/C24H32N4O2/c1-2-17-30-23-8-4-3-7-20(23)18-26-12-10-21(22(29)19-26)27-13-15-28(16-14-27)24-9-5-6-11-25-24/h2-9,11,21-22,29H,1,10,12-19H2/p+3/t21-,22-/m1/s1