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

Systemtic Name: 1-[[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-ium-1-yl]methyl]naphthalen-2-ol Openeye Name: 1-[[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-ium-1-yl]methyl]naphthalen-2-ol CAS Name: 1-[[(2R)-2-(1,3-benzothiazol-2-yl)-1-pyrrolidin-1-iumyl]methyl]-2-naphthalenol IUPAC Name: 1-[[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-ium-1-yl]methyl]naphthalen-2-ol Traditional Name: 1-[[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-ium-1-yl]methyl]-2-naphthol Formula: C22H21N2OS+ MolecularWeight: 361.47994

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Descriptors Computed from Structure

Canonical SMILES:

C1CC([NH+](C1)CC2=C(C=CC3=CC=CC=C32)O)C4=NC5=CC=CC=C5S4

Isomeric SMILES

C1C[C@@H]([NH+](C1)CC2=C(C=CC3=CC=CC=C32)O)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C22H20N2OS/c25-20-12-11-15-6-1-2-7-16(15)17(20)14-24-13-5-9-19(24)22-23-18-8-3-4-10-21(18)26-22/h1-4,6-8,10-12,19,25H,5,9,13-14H2/p+1/t19-/m1/s1