(2R)-N-(1,3-benzodioxol-5-yl)-2-[4-(dimethylamino)pyridin-1-ium-1-yl]propanamide

Systemtic Name: (2R)-N-(1,3-benzodioxol-5-yl)-2-[4-(dimethylamino)pyridin-1-ium-1-yl]propanamide Openeye Name: (2R)-N-(1,3-benzodioxol-5-yl)-2-[4-(dimethylamino)pyridin-1-ium-1-yl]propanamide CAS Name: (2R)-N-(1,3-benzodioxol-5-yl)-2-[4-(dimethylamino)-1-pyridin-1-iumyl]propanamide IUPAC Name: (2R)-N-(1,3-benzodioxol-5-yl)-2-[4-(dimethylamino)pyridin-1-ium-1-yl]propanamide Traditional Name: (2R)-N-(1,3-benzodioxol-5-yl)-2-[4-(dimethylamino)pyridin-1-ium-1-yl]propionamide Formula: C17H20N3O3+ MolecularWeight: 314.359

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC2=C(C=C1)OCO2)[N+]3=CC=C(C=C3)N(C)C

Isomeric SMILES

C[C@H](C(=O)NC1=CC2=C(C=C1)OCO2)[N+]3=CC=C(C=C3)N(C)C

InChI

InChI=1S/C17H19N3O3/c1-12(20-8-6-14(7-9-20)19(2)3)17(21)18-13-4-5-15-16(10-13)23-11-22-15/h4-10,12H,11H2,1-3H3/p+1/t12-/m1/s1