[2-[(7-butyl-2,3-dihydro-1,4-benzodioxin-5-yl)amino]-2-oxidanylidene-ethyl]-ethyl-azanium

Systemtic Name: [2-[(7-butyl-2,3-dihydro-1,4-benzodioxin-5-yl)amino]-2-oxidanylidene-ethyl]-ethyl-azanium Openeye Name: [2-[(7-butyl-2,3-dihydro-1,4-benzodioxin-5-yl)amino]-2-oxo-ethyl]-ethyl-ammonium CAS Name: [2-[(7-butyl-2,3-dihydro-1,4-benzodioxin-5-yl)amino]-2-oxoethyl]-ethylammonium IUPAC Name: [2-[(7-butyl-2,3-dihydro-1,4-benzodioxin-5-yl)amino]-2-oxoethyl]-ethylazanium Traditional Name: [2-[(7-butyl-2,3-dihydro-1,4-benzodioxin-5-yl)amino]-2-keto-ethyl]-ethyl-ammonium Formula: C16H25N2O3+ MolecularWeight: 293.3813

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC(=C2C(=C1)OCCO2)NC(=O)C[NH2+]CC

Isomeric SMILES

CCCCC1=CC(=C2C(=C1)OCCO2)NC(=O)C[NH2+]CC

InChI

InChI=1S/C16H24N2O3/c1-3-5-6-12-9-13(18-15(19)11-17-4-2)16-14(10-12)20-7-8-21-16/h9-10,17H,3-8,11H2,1-2H3,(H,18,19)/p+1