N-(1-adamantyl)-2-[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-ium-1-yl]ethanamide

Systemtic Name: N-(1-adamantyl)-2-[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-ium-1-yl]ethanamide Openeye Name: N-(1-adamantyl)-2-[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-ium-1-yl]acetamide CAS Name: N-(1-adamantyl)-2-[(2R)-2-(1,3-benzothiazol-2-yl)-1-pyrrolidin-1-iumyl]acetamide IUPAC Name: N-(1-adamantyl)-2-[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-ium-1-yl]acetamide Traditional Name: N-(1-adamantyl)-2-[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-ium-1-yl]acetamide Formula: C23H30N3OS+ MolecularWeight: 396.5688

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Descriptors Computed from Structure

Canonical SMILES:

C1CC([NH+](C1)CC(=O)NC23CC4CC(C2)CC(C4)C3)C5=NC6=CC=CC=C6S5

Isomeric SMILES

C1C[C@@H]([NH+](C1)CC(=O)NC23CC4CC(C2)CC(C4)C3)C5=NC6=CC=CC=C6S5

InChI

InChI=1S/C23H29N3OS/c27-21(25-23-11-15-8-16(12-23)10-17(9-15)13-23)14-26-7-3-5-19(26)22-24-18-4-1-2-6-20(18)28-22/h1-2,4,6,15-17,19H,3,5,7-14H2,(H,25,27)/p+1/t15?,16?,17?,19-,23?/m1/s1