2-[[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]methyl]-6-methoxy-4-prop-2-enyl-phenol

Systemtic Name: 2-[[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]methyl]-6-methoxy-4-prop-2-enyl-phenol Openeye Name: 4-allyl-2-[[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]methyl]-6-methoxy-phenol CAS Name: 2-[[(3R)-3-(1,3-benzothiazol-2-yl)-1-piperidin-1-iumyl]methyl]-6-methoxy-4-prop-2-enylphenol IUPAC Name: 2-[[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]methyl]-6-methoxy-4-prop-2-enylphenol Traditional Name: 4-allyl-2-[[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]methyl]-6-methoxy-phenol Formula: C23H27N2O2S+ MolecularWeight: 395.53768

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1O)C[NH+]2CCCC(C2)C3=NC4=CC=CC=C4S3)CC=C

Isomeric SMILES

COC1=CC(=CC(=C1O)C[NH+]2CCC[C@H](C2)C3=NC4=CC=CC=C4S3)CC=C

InChI

InChI=1S/C23H26N2O2S/c1-3-7-16-12-18(22(26)20(13-16)27-2)15-25-11-6-8-17(14-25)23-24-19-9-4-5-10-21(19)28-23/h3-5,9-10,12-13,17,26H,1,6-8,11,14-15H2,2H3/p+1/t17-/m1/s1