1,3-benzodioxol-5-ylmethyl-[2-[(3-chloranyl-4-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-methyl-azanium

Systemtic Name: 1,3-benzodioxol-5-ylmethyl-[2-[(3-chloranyl-4-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-methyl-azanium Openeye Name: 1,3-benzodioxol-5-ylmethyl-[2-(3-chloro-4-methyl-anilino)-2-oxo-ethyl]-methyl-ammonium CAS Name: 1,3-benzodioxol-5-ylmethyl-[2-(3-chloro-4-methylanilino)-2-oxoethyl]-methylammonium IUPAC Name: 1,3-benzodioxol-5-ylmethyl-[2-(3-chloro-4-methylanilino)-2-oxoethyl]-methylazanium Traditional Name: [2-(3-chloro-4-methyl-anilino)-2-keto-ethyl]-methyl-piperonyl-ammonium Formula: C18H20ClN2O3+ MolecularWeight: 347.816

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C[NH+](C)CC2=CC3=C(C=C2)OCO3)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C[NH+](C)CC2=CC3=C(C=C2)OCO3)Cl

InChI

InChI=1S/C18H19ClN2O3/c1-12-3-5-14(8-15(12)19)20-18(22)10-21(2)9-13-4-6-16-17(7-13)24-11-23-16/h3-8H,9-11H2,1-2H3,(H,20,22)/p+1