1-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]azepan-1-ium

Systemtic Name: 1-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]azepan-1-ium Openeye Name: 1-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]azepan-1-ium CAS Name: 1-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]azepan-1-ium IUPAC Name: 1-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]azepan-1-ium Traditional Name: 1-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]azepan-1-ium Formula: C15H22NO3+ MolecularWeight: 264.34008

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC2=C1OCO2)C[NH+]3CCCCCC3

Isomeric SMILES

COC1=CC(=CC2=C1OCO2)C[NH+]3CCCCCC3

InChI

InChI=1S/C15H21NO3/c1-17-13-8-12(9-14-15(13)19-11-18-14)10-16-6-4-2-3-5-7-16/h8-9H,2-7,10-11H2,1H3/p+1