(7-bromanyl-1,3-benzodioxol-5-yl)methyl-[2-(4-methoxyphenyl)ethyl]azanium

Systemtic Name: (7-bromanyl-1,3-benzodioxol-5-yl)methyl-[2-(4-methoxyphenyl)ethyl]azanium Openeye Name: (7-bromo-1,3-benzodioxol-5-yl)methyl-[2-(4-methoxyphenyl)ethyl]ammonium CAS Name: (7-bromo-1,3-benzodioxol-5-yl)methyl-[2-(4-methoxyphenyl)ethyl]ammonium IUPAC Name: (7-bromo-1,3-benzodioxol-5-yl)methyl-[2-(4-methoxyphenyl)ethyl]azanium Traditional Name: (7-bromo-1,3-benzodioxol-5-yl)methyl-[2-(4-methoxyphenyl)ethyl]ammonium Formula: C17H19BrNO3+ MolecularWeight: 365.24166

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CC[NH2+]CC2=CC3=C(C(=C2)Br)OCO3

Isomeric SMILES

COC1=CC=C(C=C1)CC[NH2+]CC2=CC3=C(C(=C2)Br)OCO3

InChI

InChI=1S/C17H18BrNO3/c1-20-14-4-2-12(3-5-14)6-7-19-10-13-8-15(18)17-16(9-13)21-11-22-17/h2-5,8-9,19H,6-7,10-11H2,1H3/p+1