4-[4-[[(3R)-3-(1,3-benzodioxol-5-ylamino)piperidin-1-ium-1-yl]methyl]phenyl]-2-methyl-but-3-yn-2-ol

Systemtic Name: 4-[4-[[(3R)-3-(1,3-benzodioxol-5-ylamino)piperidin-1-ium-1-yl]methyl]phenyl]-2-methyl-but-3-yn-2-ol Openeye Name: 4-[4-[[(3R)-3-(1,3-benzodioxol-5-ylamino)piperidin-1-ium-1-yl]methyl]phenyl]-2-methyl-but-3-yn-2-ol CAS Name: 4-[4-[[(3R)-3-(1,3-benzodioxol-5-ylamino)-1-piperidin-1-iumyl]methyl]phenyl]-2-methyl-3-butyn-2-ol IUPAC Name: 4-[4-[[(3R)-3-(1,3-benzodioxol-5-ylamino)piperidin-1-ium-1-yl]methyl]phenyl]-2-methylbut-3-yn-2-ol Traditional Name: 4-[4-[[(3R)-3-(1,3-benzodioxol-5-ylamino)piperidin-1-ium-1-yl]methyl]phenyl]-2-methyl-but-3-yn-2-ol Formula: C24H29N2O3+ MolecularWeight: 393.49866

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C#CC1=CC=C(C=C1)C[NH+]2CCCC(C2)NC3=CC4=C(C=C3)OCO4)O

Isomeric SMILES

CC(C)(C#CC1=CC=C(C=C1)C[NH+]2CCC[C@H](C2)NC3=CC4=C(C=C3)OCO4)O

InChI

InChI=1S/C24H28N2O3/c1-24(2,27)12-11-18-5-7-19(8-6-18)15-26-13-3-4-21(16-26)25-20-9-10-22-23(14-20)29-17-28-22/h5-10,14,21,25,27H,3-4,13,15-17H2,1-2H3/p+1/t21-/m1/s1