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

Systemtic Name: N-(1-adamantylmethyl)-2-[(2S)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-ium-1-yl]ethanamide Openeye Name: N-(1-adamantylmethyl)-2-[(2S)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-ium-1-yl]acetamide CAS Name: N-(1-adamantylmethyl)-2-[(2S)-2-(1,3-benzothiazol-2-yl)-1-pyrrolidin-1-iumyl]acetamide IUPAC Name: N-(1-adamantylmethyl)-2-[(2S)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-ium-1-yl]acetamide Traditional Name: N-(1-adamantylmethyl)-2-[(2S)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-ium-1-yl]acetamide Formula: C24H32N3OS+ MolecularWeight: 410.59538

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Descriptors Computed from Structure

Canonical SMILES:

C1CC([NH+](C1)CC(=O)NCC23CC4CC(C2)CC(C4)C3)C5=NC6=CC=CC=C6S5

Isomeric SMILES

C1C[C@H]([NH+](C1)CC(=O)NCC23CC4CC(C2)CC(C4)C3)C5=NC6=CC=CC=C6S5

InChI

InChI=1S/C24H31N3OS/c28-22(25-15-24-11-16-8-17(12-24)10-18(9-16)13-24)14-27-7-3-5-20(27)23-26-19-4-1-2-6-21(19)29-23/h1-2,4,6,16-18,20H,3,5,7-15H2,(H,25,28)/p+1/t16?,17?,18?,20-,24?/m0/s1