N-(1,3-benzodioxol-5-yl)-1-(1,3-benzoxazol-2-ylmethyl)piperidin-1-ium-4-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-1-(1,3-benzoxazol-2-ylmethyl)piperidin-1-ium-4-carboxamide Openeye Name: N-(1,3-benzodioxol-5-yl)-1-(1,3-benzoxazol-2-ylmethyl)piperidin-1-ium-4-carboxamide CAS Name: N-(1,3-benzodioxol-5-yl)-1-(1,3-benzoxazol-2-ylmethyl)-4-piperidin-1-iumcarboxamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-1-(1,3-benzoxazol-2-ylmethyl)piperidin-1-ium-4-carboxamide Traditional Name: N-(1,3-benzodioxol-5-yl)-1-(1,3-benzoxazol-2-ylmethyl)piperidin-1-ium-4-carboxamide Formula: C21H22N3O4+ MolecularWeight: 380.41708

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C(=O)NC2=CC3=C(C=C2)OCO3)CC4=NC5=CC=CC=C5O4

Isomeric SMILES

C1C[NH+](CCC1C(=O)NC2=CC3=C(C=C2)OCO3)CC4=NC5=CC=CC=C5O4

InChI

InChI=1S/C21H21N3O4/c25-21(22-15-5-6-18-19(11-15)27-13-26-18)14-7-9-24(10-8-14)12-20-23-16-3-1-2-4-17(16)28-20/h1-6,11,14H,7-10,12-13H2,(H,22,25)/p+1