N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[1-[(3-methyl-1H-imidazol-3-ium-2-yl)methyl]piperidin-1-ium-4-yl]propanamide

Systemtic Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[1-[(3-methyl-1H-imidazol-3-ium-2-yl)methyl]piperidin-1-ium-4-yl]propanamide Openeye Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[1-[(3-methyl-1H-imidazol-3-ium-2-yl)methyl]piperidin-1-ium-4-yl]propanamide CAS Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[1-[(3-methyl-1H-imidazol-3-ium-2-yl)methyl]-4-piperidin-1-iumyl]propanamide IUPAC Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[1-[(3-methyl-1H-imidazol-3-ium-2-yl)methyl]piperidin-1-ium-4-yl]propanamide Traditional Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[1-[(3-methyl-1H-imidazol-3-ium-2-yl)methyl]piperidin-1-ium-4-yl]propionamide Formula: C21H30N4O3+2 MolecularWeight: 386.4879

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(NC=C1)C[NH+]2CCC(CC2)CCC(=O)NC3=CC4=C(C=C3)OCCO4

Isomeric SMILES

C[N+]1=C(NC=C1)C[NH+]2CCC(CC2)CCC(=O)NC3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C21H28N4O3/c1-24-11-8-22-20(24)15-25-9-6-16(7-10-25)2-5-21(26)23-17-3-4-18-19(14-17)28-13-12-27-18/h3-4,8,11,14,16H,2,5-7,9-10,12-13,15H2,1H3,(H,23,26)/p+2