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

Systemtic Name: (3R,4R)-1-[(Z)-2-chloranyl-3-phenyl-prop-2-enyl]-4-morpholin-4-ium-4-yl-piperidin-1-ium-3-ol Openeye Name: (3R,4R)-1-[(Z)-2-chloro-3-phenyl-allyl]-4-morpholin-4-ium-4-yl-piperidin-1-ium-3-ol CAS Name: (3R,4R)-1-[(Z)-2-chloro-3-phenylprop-2-enyl]-4-(4-morpholin-4-iumyl)-3-piperidin-1-iumol IUPAC Name: (3R,4R)-1-[(Z)-2-chloro-3-phenylprop-2-enyl]-4-morpholin-4-ium-4-ylpiperidin-1-ium-3-ol Traditional Name: (3R,4R)-1-[(Z)-2-chloro-3-phenyl-allyl]-4-morpholin-4-ium-4-yl-piperidin-1-ium-3-ol Formula: C18H27ClN2O2+2 MolecularWeight: 338.87218

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC(C1[NH+]2CCOCC2)O)CC(=CC3=CC=CC=C3)Cl

Isomeric SMILES

C1C[NH+](C[C@H]([C@@H]1[NH+]2CCOCC2)O)C/C(=C/C3=CC=CC=C3)/Cl

InChI

InChI=1S/C18H25ClN2O2/c19-16(12-15-4-2-1-3-5-15)13-20-7-6-17(18(22)14-20)21-8-10-23-11-9-21/h1-5,12,17-18,22H,6-11,13-14H2/p+2/b16-12-/t17-,18-/m1/s1