N-(1-adamantylmethyl)-2-[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-ium-1-yl]ethanamide

Systemtic Name: N-(1-adamantylmethyl)-2-[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-ium-1-yl]ethanamide Openeye Name: N-(1-adamantylmethyl)-2-[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-ium-1-yl]acetamide CAS Name: N-(1-adamantylmethyl)-2-[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-pyrrolidin-1-iumyl]acetamide IUPAC Name: N-(1-adamantylmethyl)-2-[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-ium-1-yl]acetamide Traditional Name: N-(1-adamantylmethyl)-2-[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-ium-1-yl]acetamide Formula: C25H35N2O3+ MolecularWeight: 411.557

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Descriptors Computed from Structure

Canonical SMILES:

C1CC([NH+](C1)CC(=O)NCC23CC4CC(C2)CC(C4)C3)C5=CC6=C(C=C5)OCCO6

Isomeric SMILES

C1C[C@@H]([NH+](C1)CC(=O)NCC23CC4CC(C2)CC(C4)C3)C5=CC6=C(C=C5)OCCO6

InChI

InChI=1S/C25H34N2O3/c28-24(26-16-25-12-17-8-18(13-25)10-19(9-17)14-25)15-27-5-1-2-21(27)20-3-4-22-23(11-20)30-7-6-29-22/h3-4,11,17-19,21H,1-2,5-10,12-16H2,(H,26,28)/p+1/t17?,18?,19?,21-,25?/m1/s1