2-[3-(1,3-benzodioxol-5-yl)-4-methoxy-phenyl]ethylazanium

Systemtic Name: 2-[3-(1,3-benzodioxol-5-yl)-4-methoxy-phenyl]ethylazanium Openeye Name: 2-[3-(1,3-benzodioxol-5-yl)-4-methoxy-phenyl]ethylammonium CAS Name: 2-[3-(1,3-benzodioxol-5-yl)-4-methoxyphenyl]ethylammonium IUPAC Name: 2-[3-(1,3-benzodioxol-5-yl)-4-methoxyphenyl]ethylazanium Traditional Name: 2-[3-(1,3-benzodioxol-5-yl)-4-methoxy-phenyl]ethylammonium Formula: C16H18NO3+ MolecularWeight: 272.31902

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CC[NH3+])C2=CC3=C(C=C2)OCO3

Isomeric SMILES

COC1=C(C=C(C=C1)CC[NH3+])C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C16H17NO3/c1-18-14-4-2-11(6-7-17)8-13(14)12-3-5-15-16(9-12)20-10-19-15/h2-5,8-9H,6-7,10,17H2,1H3/p+1