1-[[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-ium-1-yl]methyl]-7-methoxy-naphthalen-2-ol

Systemtic Name: 1-[[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-ium-1-yl]methyl]-7-methoxy-naphthalen-2-ol Openeye Name: 1-[[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-ium-1-yl]methyl]-7-methoxy-naphthalen-2-ol CAS Name: 1-[[(2R)-2-(1,3-benzothiazol-2-yl)-1-pyrrolidin-1-iumyl]methyl]-7-methoxy-2-naphthalenol IUPAC Name: 1-[[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-ium-1-yl]methyl]-7-methoxynaphthalen-2-ol Traditional Name: 1-[[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-ium-1-yl]methyl]-7-methoxy-2-naphthol Formula: C23H23N2O2S+ MolecularWeight: 391.50592

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C=CC(=C2C[NH+]3CCCC3C4=NC5=CC=CC=C5S4)O

Isomeric SMILES

COC1=CC2=C(C=C1)C=CC(=C2C[NH+]3CCC[C@@H]3C4=NC5=CC=CC=C5S4)O

InChI

InChI=1S/C23H22N2O2S/c1-27-16-10-8-15-9-11-21(26)18(17(15)13-16)14-25-12-4-6-20(25)23-24-19-5-2-3-7-22(19)28-23/h2-3,5,7-11,13,20,26H,4,6,12,14H2,1H3/p+1/t20-/m1/s1