1,3-benzodioxol-5-ylmethyl-[3-[(2-chlorophenyl)amino]-3-oxidanylidene-propyl]-ethyl-azanium

Systemtic Name: 1,3-benzodioxol-5-ylmethyl-[3-[(2-chlorophenyl)amino]-3-oxidanylidene-propyl]-ethyl-azanium Openeye Name: 1,3-benzodioxol-5-ylmethyl-[3-(2-chloroanilino)-3-oxo-propyl]-ethyl-ammonium CAS Name: 1,3-benzodioxol-5-ylmethyl-[3-(2-chloroanilino)-3-oxopropyl]-ethylammonium IUPAC Name: 1,3-benzodioxol-5-ylmethyl-[3-(2-chloroanilino)-3-oxopropyl]-ethylazanium Traditional Name: [3-(2-chloroanilino)-3-keto-propyl]-ethyl-piperonyl-ammonium Formula: C19H22ClN2O3+ MolecularWeight: 361.84258

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CCC(=O)NC1=CC=CC=C1Cl)CC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CC[NH+](CCC(=O)NC1=CC=CC=C1Cl)CC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C19H21ClN2O3/c1-2-22(12-14-7-8-17-18(11-14)25-13-24-17)10-9-19(23)21-16-6-4-3-5-15(16)20/h3-8,11H,2,9-10,12-13H2,1H3,(H,21,23)/p+1