(3R,4R)-1-[(4-ethynylphenyl)methyl]-4-morpholin-4-ium-4-yl-piperidin-1-ium-3-ol

Systemtic Name: (3R,4R)-1-[(4-ethynylphenyl)methyl]-4-morpholin-4-ium-4-yl-piperidin-1-ium-3-ol Openeye Name: (3R,4R)-1-[(4-ethynylphenyl)methyl]-4-morpholin-4-ium-4-yl-piperidin-1-ium-3-ol CAS Name: (3R,4R)-1-[(4-ethynylphenyl)methyl]-4-(4-morpholin-4-iumyl)-3-piperidin-1-iumol IUPAC Name: (3R,4R)-1-[(4-ethynylphenyl)methyl]-4-morpholin-4-ium-4-ylpiperidin-1-ium-3-ol Traditional Name: (3R,4R)-1-(4-ethynylbenzyl)-4-morpholin-4-ium-4-yl-piperidin-1-ium-3-ol Formula: C18H26N2O2+2 MolecularWeight: 302.41124

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Descriptors Computed from Structure

Canonical SMILES:

C#CC1=CC=C(C=C1)C[NH+]2CCC(C(C2)O)[NH+]3CCOCC3

Isomeric SMILES

C#CC1=CC=C(C=C1)C[NH+]2CC[C@H]([C@@H](C2)O)[NH+]3CCOCC3

InChI

InChI=1S/C18H24N2O2/c1-2-15-3-5-16(6-4-15)13-19-8-7-17(18(21)14-19)20-9-11-22-12-10-20/h1,3-6,17-18,21H,7-14H2/p+2/t17-,18-/m1/s1