2,3-dihydro-1,4-benzodioxin-6-ylmethyl-methyl-[(2R)-1-[(4-morpholin-4-ylphenyl)amino]-1-oxidanylidene-propan-2-yl]azanium

Systemtic Name: 2,3-dihydro-1,4-benzodioxin-6-ylmethyl-methyl-[(2R)-1-[(4-morpholin-4-ylphenyl)amino]-1-oxidanylidene-propan-2-yl]azanium Openeye Name: 2,3-dihydro-1,4-benzodioxin-6-ylmethyl-methyl-[(1R)-1-methyl-2-(4-morpholinoanilino)-2-oxo-ethyl]ammonium CAS Name: 2,3-dihydro-1,4-benzodioxin-6-ylmethyl-methyl-[(2R)-1-[4-(4-morpholinyl)anilino]-1-oxopropan-2-yl]ammonium IUPAC Name: 2,3-dihydro-1,4-benzodioxin-6-ylmethyl-methyl-[(2R)-1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl]azanium Traditional Name: 2,3-dihydro-1,4-benzodioxin-6-ylmethyl-[(1R)-2-keto-1-methyl-2-(4-morpholinoanilino)ethyl]-methyl-ammonium Formula: C23H30N3O4+ MolecularWeight: 412.502

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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)OCCO4

Isomeric SMILES

C[C@H](C(=O)NC1=CC=C(C=C1)N2CCOCC2)[NH+](C)CC3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C23H29N3O4/c1-17(25(2)16-18-3-8-21-22(15-18)30-14-13-29-21)23(27)24-19-4-6-20(7-5-19)26-9-11-28-12-10-26/h3-8,15,17H,9-14,16H2,1-2H3,(H,24,27)/p+1/t17-/m1/s1