1,3-benzodioxol-5-ylmethyl-methyl-[2-[(4-morpholin-4-ylphenyl)amino]-2-oxidanylidene-ethyl]azanium

Systemtic Name: 1,3-benzodioxol-5-ylmethyl-methyl-[2-[(4-morpholin-4-ylphenyl)amino]-2-oxidanylidene-ethyl]azanium Openeye Name: 1,3-benzodioxol-5-ylmethyl-methyl-[2-(4-morpholinoanilino)-2-oxo-ethyl]ammonium CAS Name: 1,3-benzodioxol-5-ylmethyl-methyl-[2-[4-(4-morpholinyl)anilino]-2-oxoethyl]ammonium IUPAC Name: 1,3-benzodioxol-5-ylmethyl-methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]azanium Traditional Name: [2-keto-2-(4-morpholinoanilino)ethyl]-methyl-piperonyl-ammonium Formula: C21H26N3O4+ MolecularWeight: 384.44884

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC2=C(C=C1)OCO2)CC(=O)NC3=CC=C(C=C3)N4CCOCC4

Isomeric SMILES

C[NH+](CC1=CC2=C(C=C1)OCO2)CC(=O)NC3=CC=C(C=C3)N4CCOCC4

InChI

InChI=1S/C21H25N3O4/c1-23(13-16-2-7-19-20(12-16)28-15-27-19)14-21(25)22-17-3-5-18(6-4-17)24-8-10-26-11-9-24/h2-7,12H,8-11,13-15H2,1H3,(H,22,25)/p+1