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

Systemtic Name: 2,3-dihydro-1,4-benzodioxin-6-ylmethyl-[(2S)-1-[(4-ethylphenyl)amino]-1-oxidanylidene-propan-2-yl]-methyl-azanium Openeye Name: 2,3-dihydro-1,4-benzodioxin-6-ylmethyl-[(1S)-2-(4-ethylanilino)-1-methyl-2-oxo-ethyl]-methyl-ammonium CAS Name: 2,3-dihydro-1,4-benzodioxin-6-ylmethyl-[(2S)-1-(4-ethylanilino)-1-oxopropan-2-yl]-methylammonium IUPAC Name: 2,3-dihydro-1,4-benzodioxin-6-ylmethyl-[(2S)-1-(4-ethylanilino)-1-oxopropan-2-yl]-methylazanium Traditional Name: 2,3-dihydro-1,4-benzodioxin-6-ylmethyl-[(1S)-2-(4-ethylanilino)-2-keto-1-methyl-ethyl]-methyl-ammonium Formula: C21H27N2O3+ MolecularWeight: 355.45068

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=O)C(C)[NH+](C)CC2=CC3=C(C=C2)OCCO3

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=O)[C@H](C)[NH+](C)CC2=CC3=C(C=C2)OCCO3

InChI

InChI=1S/C21H26N2O3/c1-4-16-5-8-18(9-6-16)22-21(24)15(2)23(3)14-17-7-10-19-20(13-17)26-12-11-25-19/h5-10,13,15H,4,11-12,14H2,1-3H3,(H,22,24)/p+1/t15-/m0/s1