2-[1,3-benzodioxol-5-yl-[(3-chlorophenyl)methyl]amino]ethylazanium

Systemtic Name: 2-[1,3-benzodioxol-5-yl-[(3-chlorophenyl)methyl]amino]ethylazanium Openeye Name: 2-[1,3-benzodioxol-5-yl-[(3-chlorophenyl)methyl]amino]ethylammonium CAS Name: 2-[1,3-benzodioxol-5-yl-[(3-chlorophenyl)methyl]amino]ethylammonium IUPAC Name: 2-[1,3-benzodioxol-5-yl-[(3-chlorophenyl)methyl]amino]ethylazanium Traditional Name: 2-[1,3-benzodioxol-5-yl-(3-chlorobenzyl)amino]ethylammonium Formula: C16H18ClN2O2+ MolecularWeight: 305.77932

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)N(CC[NH3+])CC3=CC(=CC=C3)Cl

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)N(CC[NH3+])CC3=CC(=CC=C3)Cl

InChI

InChI=1S/C16H17ClN2O2/c17-13-3-1-2-12(8-13)10-19(7-6-18)14-4-5-15-16(9-14)21-11-20-15/h1-5,8-9H,6-7,10-11,18H2/p+1