N-[2-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]amino]-2-oxidanylidene-ethyl]-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-[2-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]amino]-2-oxidanylidene-ethyl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[2-[4-(morpholin-4-ium-4-ylmethyl)anilino]-2-oxo-ethyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[2-[4-(4-morpholin-4-iumylmethyl)anilino]-2-oxoethyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[2-[4-(morpholin-4-ium-4-ylmethyl)anilino]-2-oxoethyl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[2-keto-2-[4-(morpholin-4-ium-4-ylmethyl)anilino]ethyl]-piperonylamide Formula: C21H24N3O5+ MolecularWeight: 398.43236

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CC2=CC=C(C=C2)NC(=O)CNC(=O)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1COCC[NH+]1CC2=CC=C(C=C2)NC(=O)CNC(=O)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H23N3O5/c25-20(12-22-21(26)16-3-6-18-19(11-16)29-14-28-18)23-17-4-1-15(2-5-17)13-24-7-9-27-10-8-24/h1-6,11H,7-10,12-14H2,(H,22,26)(H,23,25)/p+1