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

Systemtic Name: 1,3-benzodioxol-5-ylmethyl-methyl-[(2R)-1-[(4-morpholin-4-ylphenyl)amino]-1-oxidanylidene-propan-2-yl]azanium Openeye Name: 1,3-benzodioxol-5-ylmethyl-methyl-[(1R)-1-methyl-2-(4-morpholinoanilino)-2-oxo-ethyl]ammonium CAS Name: 1,3-benzodioxol-5-ylmethyl-methyl-[(2R)-1-[4-(4-morpholinyl)anilino]-1-oxopropan-2-yl]ammonium IUPAC Name: 1,3-benzodioxol-5-ylmethyl-methyl-[(2R)-1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl]azanium Traditional Name: [(1R)-2-keto-1-methyl-2-(4-morpholinoanilino)ethyl]-methyl-piperonyl-ammonium Formula: C22H28N3O4+ MolecularWeight: 398.47542

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)N2CCOCC2)[NH+](C)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C[C@H](C(=O)NC1=CC=C(C=C1)N2CCOCC2)[NH+](C)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C22H27N3O4/c1-16(24(2)14-17-3-8-20-21(13-17)29-15-28-20)22(26)23-18-4-6-19(7-5-18)25-9-11-27-12-10-25/h3-8,13,16H,9-12,14-15H2,1-2H3,(H,23,26)/p+1/t16-/m1/s1