(2R)-2-(azocan-1-ium-1-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide

Systemtic Name: (2R)-2-(azocan-1-ium-1-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide Openeye Name: (2R)-2-(azocan-1-ium-1-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide CAS Name: (2R)-2-(1-azocan-1-iumyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide IUPAC Name: (2R)-2-(azocan-1-ium-1-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide Traditional Name: (2R)-2-(azocan-1-ium-1-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propionamide Formula: C18H27N2O3+ MolecularWeight: 319.41858

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC2=C(C=C1)OCCO2)[NH+]3CCCCCCC3

Isomeric SMILES

C[C@H](C(=O)NC1=CC2=C(C=C1)OCCO2)[NH+]3CCCCCCC3

InChI

InChI=1S/C18H26N2O3/c1-14(20-9-5-3-2-4-6-10-20)18(21)19-15-7-8-16-17(13-15)23-12-11-22-16/h7-8,13-14H,2-6,9-12H2,1H3,(H,19,21)/p+1/t14-/m1/s1