ethyl N-[2-[(5-chloranylpyridin-1-ium-2-yl)amino]-1,3-benzodioxol-2-yl]carbamate

Systemtic Name: ethyl N-[2-[(5-chloranylpyridin-1-ium-2-yl)amino]-1,3-benzodioxol-2-yl]carbamate Openeye Name: ethyl N-[2-[(5-chloropyridin-1-ium-2-yl)amino]-1,3-benzodioxol-2-yl]carbamate CAS Name: N-[2-[(5-chloro-2-pyridin-1-iumyl)amino]-1,3-benzodioxol-2-yl]carbamic acid ethyl ester IUPAC Name: ethyl N-[2-[(5-chloropyridin-1-ium-2-yl)amino]-1,3-benzodioxol-2-yl]carbamate Traditional Name: N-[2-[(5-chloropyridin-1-ium-2-yl)amino]-1,3-benzodioxol-2-yl]carbamic acid ethyl ester Formula: C15H15ClN3O4+ MolecularWeight: 336.7503

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)NC1(OC2=CC=CC=C2O1)NC3=[NH+]C=C(C=C3)Cl

Isomeric SMILES

CCOC(=O)NC1(OC2=CC=CC=C2O1)NC3=[NH+]C=C(C=C3)Cl

InChI

InChI=1S/C15H14ClN3O4/c1-2-21-14(20)19-15(18-13-8-7-10(16)9-17-13)22-11-5-3-4-6-12(11)23-15/h3-9H,2H2,1H3,(H,17,18)(H,19,20)/p+1