(3R,4R)-1-[(Z)-2-chloranyl-3-phenyl-prop-2-enyl]-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)piperidin-1-ium-3-ol

Systemtic Name: (3R,4R)-1-[(Z)-2-chloranyl-3-phenyl-prop-2-enyl]-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)piperidin-1-ium-3-ol Openeye Name: (3R,4R)-1-[(Z)-2-chloro-3-phenyl-allyl]-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)piperidin-1-ium-3-ol CAS Name: (3R,4R)-1-[(Z)-2-chloro-3-phenylprop-2-enyl]-4-[4-(2-pyridin-1-iumyl)-1-piperazinyl]-3-piperidin-1-iumol IUPAC Name: (3R,4R)-1-[(Z)-2-chloro-3-phenylprop-2-enyl]-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)piperidin-1-ium-3-ol Traditional Name: (3R,4R)-1-[(Z)-2-chloro-3-phenyl-allyl]-4-(4-pyridin-1-ium-2-ylpiperazino)piperidin-1-ium-3-ol Formula: C23H31ClN4O+2 MolecularWeight: 414.97144

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC(C1N2CCN(CC2)C3=CC=CC=[NH+]3)O)CC(=CC4=CC=CC=C4)Cl

Isomeric SMILES

C1C[NH+](C[C@H]([C@@H]1N2CCN(CC2)C3=CC=CC=[NH+]3)O)C/C(=C/C4=CC=CC=C4)/Cl

InChI

InChI=1S/C23H29ClN4O/c24-20(16-19-6-2-1-3-7-19)17-26-11-9-21(22(29)18-26)27-12-14-28(15-13-27)23-8-4-5-10-25-23/h1-8,10,16,21-22,29H,9,11-15,17-18H2/p+2/b20-16-/t21-,22-/m1/s1