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

Systemtic Name: [2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl]-methyl-[(2-morpholin-4-ylphenyl)methyl]azanium Openeye Name: [2-(1,3-benzodioxol-5-ylamino)-2-oxo-ethyl]-methyl-[(2-morpholinophenyl)methyl]ammonium CAS Name: [2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]-methyl-[[2-(4-morpholinyl)phenyl]methyl]ammonium IUPAC Name: [2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]-methyl-[(2-morpholin-4-ylphenyl)methyl]azanium Traditional Name: [2-(1,3-benzodioxol-5-ylamino)-2-keto-ethyl]-methyl-(2-morpholinobenzyl)ammonium Formula: C21H26N3O4+ MolecularWeight: 384.44884

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC=CC=C1N2CCOCC2)CC(=O)NC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C[NH+](CC1=CC=CC=C1N2CCOCC2)CC(=O)NC3=CC4=C(C=C3)OCO4

InChI

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