2-[(2S)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-ium-1-yl]-N-[(6-methoxynaphthalen-2-yl)methyl]-N-methyl-ethanamide

Systemtic Name: 2-[(2S)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-ium-1-yl]-N-[(6-methoxynaphthalen-2-yl)methyl]-N-methyl-ethanamide Openeye Name: 2-[(2S)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-ium-1-yl]-N-[(6-methoxy-2-naphthyl)methyl]-N-methyl-acetamide CAS Name: 2-[(2S)-2-(1,3-benzothiazol-2-yl)-1-pyrrolidin-1-iumyl]-N-[(6-methoxy-2-naphthalenyl)methyl]-N-methylacetamide IUPAC Name: 2-[(2S)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-ium-1-yl]-N-[(6-methoxynaphthalen-2-yl)methyl]-N-methylacetamide Traditional Name: 2-[(2S)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-ium-1-yl]-N-[(6-methoxy-2-naphthyl)methyl]-N-methyl-acetamide Formula: C26H28N3O2S+ MolecularWeight: 446.58442

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC2=C(C=C1)C=C(C=C2)OC)C(=O)C[NH+]3CCCC3C4=NC5=CC=CC=C5S4

Isomeric SMILES

CN(CC1=CC2=C(C=C1)C=C(C=C2)OC)C(=O)C[NH+]3CCC[C@H]3C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C26H27N3O2S/c1-28(16-18-9-10-20-15-21(31-2)12-11-19(20)14-18)25(30)17-29-13-5-7-23(29)26-27-22-6-3-4-8-24(22)32-26/h3-4,6,8-12,14-15,23H,5,7,13,16-17H2,1-2H3/p+1/t23-/m0/s1