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

Systemtic Name: 1,3-benzodioxol-5-ylmethyl-[2-[(2-chloranyl-4-nitro-phenyl)amino]ethyl]azanium Openeye Name: 1,3-benzodioxol-5-ylmethyl-[2-(2-chloro-4-nitro-anilino)ethyl]ammonium CAS Name: 1,3-benzodioxol-5-ylmethyl-[2-(2-chloro-4-nitroanilino)ethyl]ammonium IUPAC Name: 1,3-benzodioxol-5-ylmethyl-[2-(2-chloro-4-nitroanilino)ethyl]azanium Traditional Name: 2-(2-chloro-4-nitro-anilino)ethyl-piperonyl-ammonium Formula: C16H17ClN3O4+ MolecularWeight: 350.77688

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C[NH2+]CCNC3=C(C=C(C=C3)[N+](=O)[O-])Cl

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C[NH2+]CCNC3=C(C=C(C=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C16H16ClN3O4/c17-13-8-12(20(21)22)2-3-14(13)19-6-5-18-9-11-1-4-15-16(7-11)24-10-23-15/h1-4,7-8,18-19H,5-6,9-10H2/p+1