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

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

Systemtic Name:2,3-dihydro-1,4-benzodioxin-6-ylmethyl-methyl-[2-oxidanylidene-2-[(3-propan-2-ylphenyl)amino]ethyl]azanium
Openeye Name:2,3-dihydro-1,4-benzodioxin-6-ylmethyl-[2-(3-isopropylanilino)-2-oxo-ethyl]-methyl-ammonium
CAS Name:2,3-dihydro-1,4-benzodioxin-6-ylmethyl-methyl-[2-oxo-2-(3-propan-2-ylanilino)ethyl]ammonium
IUPAC Name:2,3-dihydro-1,4-benzodioxin-6-ylmethyl-methyl-[2-oxo-2-(3-propan-2-ylanilino)ethyl]azanium
Traditional Name:2,3-dihydro-1,4-benzodioxin-6-ylmethyl-[2-(3-isopropylanilino)-2-keto-ethyl]-methyl-ammonium
Formula: C21H27N2O3+
MolecularWeight: 355.45068
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C21H26N2O3/c1-15(2)17-5-4-6-18(12-17)22-21(24)14-23(3)13-16-7-8-19-20(11-16)26-10-9-25-19/h4-8,11-12,15H,9-10,13-14H2,1-3H3,(H,22,24)/p+1


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