(3R,4R)-1-(3-pyrazol-1-ylpropyl)-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)piperidin-1-ium-3-ol

Systemtic Name: (3R,4R)-1-(3-pyrazol-1-ylpropyl)-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)piperidin-1-ium-3-ol Openeye Name: (3R,4R)-1-(3-pyrazol-1-ylpropyl)-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)piperidin-1-ium-3-ol CAS Name: (3R,4R)-1-[3-(1-pyrazolyl)propyl]-4-[4-(2-pyridin-1-iumyl)-1-piperazinyl]-3-piperidin-1-iumol IUPAC Name: (3R,4R)-1-(3-pyrazol-1-ylpropyl)-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)piperidin-1-ium-3-ol Traditional Name: (3R,4R)-1-(3-pyrazol-1-ylpropyl)-4-(4-pyridin-1-ium-2-ylpiperazino)piperidin-1-ium-3-ol Formula: C20H32N6O+2 MolecularWeight: 372.50768

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC(C1N2CCN(CC2)C3=CC=CC=[NH+]3)O)CCCN4C=CC=N4

Isomeric SMILES

C1C[NH+](C[C@H]([C@@H]1N2CCN(CC2)C3=CC=CC=[NH+]3)O)CCCN4C=CC=N4

InChI

InChI=1S/C20H30N6O/c27-19-17-23(9-4-11-26-10-3-8-22-26)12-6-18(19)24-13-15-25(16-14-24)20-5-1-2-7-21-20/h1-3,5,7-8,10,18-19,27H,4,6,9,11-17H2/p+2/t18-,19-/m1/s1