2,3-dihydro-1,4-benzodioxin-6-ylmethyl-[(2S)-1-[(2-methoxyphenyl)methylamino]-1-oxidanylidene-propan-2-yl]-methyl-azanium

Systemtic Name: 2,3-dihydro-1,4-benzodioxin-6-ylmethyl-[(2S)-1-[(2-methoxyphenyl)methylamino]-1-oxidanylidene-propan-2-yl]-methyl-azanium Openeye Name: 2,3-dihydro-1,4-benzodioxin-6-ylmethyl-[(1S)-2-[(2-methoxyphenyl)methylamino]-1-methyl-2-oxo-ethyl]-methyl-ammonium CAS Name: 2,3-dihydro-1,4-benzodioxin-6-ylmethyl-[(2S)-1-[(2-methoxyphenyl)methylamino]-1-oxopropan-2-yl]-methylammonium IUPAC Name: 2,3-dihydro-1,4-benzodioxin-6-ylmethyl-[(2S)-1-[(2-methoxyphenyl)methylamino]-1-oxopropan-2-yl]-methylazanium Traditional Name: 2,3-dihydro-1,4-benzodioxin-6-ylmethyl-[(1S)-2-keto-1-methyl-2-(o-anisylamino)ethyl]-methyl-ammonium Formula: C21H27N2O4+ MolecularWeight: 371.45008

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC=CC=C1OC)[NH+](C)CC2=CC3=C(C=C2)OCCO3

Isomeric SMILES

C[C@@H](C(=O)NCC1=CC=CC=C1OC)[NH+](C)CC2=CC3=C(C=C2)OCCO3

InChI

InChI=1S/C21H26N2O4/c1-15(21(24)22-13-17-6-4-5-7-18(17)25-3)23(2)14-16-8-9-19-20(12-16)27-11-10-26-19/h4-9,12,15H,10-11,13-14H2,1-3H3,(H,22,24)/p+1/t15-/m0/s1