[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-(1,3-benzodioxol-5-yl)azanium

Systemtic Name: [2-(azepan-1-yl)-2-oxidanylidene-ethyl]-(1,3-benzodioxol-5-yl)azanium Openeye Name: [2-(azepan-1-yl)-2-oxo-ethyl]-(1,3-benzodioxol-5-yl)ammonium CAS Name: [2-(1-azepanyl)-2-oxoethyl]-(1,3-benzodioxol-5-yl)ammonium IUPAC Name: [2-(azepan-1-yl)-2-oxoethyl]-(1,3-benzodioxol-5-yl)azanium Traditional Name: [2-(azepan-1-yl)-2-keto-ethyl]-(1,3-benzodioxol-5-yl)ammonium Formula: C15H21N2O3+ MolecularWeight: 277.33884

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C[NH2+]C2=CC3=C(C=C2)OCO3

Isomeric SMILES

C1CCCN(CC1)C(=O)C[NH2+]C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C15H20N2O3/c18-15(17-7-3-1-2-4-8-17)10-16-12-5-6-13-14(9-12)20-11-19-13/h5-6,9,16H,1-4,7-8,10-11H2/p+1