4-chloranyl-1-methoxy-3-(3-methylphenyl)-1-propyl-1,2,3,4-tetrazolidin-1-ium-5-one

Systemtic Name: 4-chloranyl-1-methoxy-3-(3-methylphenyl)-1-propyl-1,2,3,4-tetrazolidin-1-ium-5-one Openeye Name: 4-chloro-1-methoxy-3-(m-tolyl)-1-propyl-tetrazolidin-1-ium-5-one CAS Name: 4-chloro-1-methoxy-3-(3-methylphenyl)-1-propyl-5-tetrazolidin-1-iumone IUPAC Name: 4-chloro-1-methoxy-3-(3-methylphenyl)-1-propyltetrazolidin-1-ium-5-one Traditional Name: 4-chloro-1-methoxy-3-(m-tolyl)-1-propyl-tetrazolidin-1-ium-5-one Formula: C12H18ClN4O2+ MolecularWeight: 285.74992

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Descriptors Computed from Structure

Canonical SMILES:

CCC[N+]1(C(=O)N(N(N1)C2=CC=CC(=C2)C)Cl)OC

Isomeric SMILES

CCC[N+]1(C(=O)N(N(N1)C2=CC=CC(=C2)C)Cl)OC

InChI

InChI=1S/C12H18ClN4O2/c1-4-8-17(19-3)12(18)15(13)16(14-17)11-7-5-6-10(2)9-11/h5-7,9,14H,4,8H2,1-3H3/q+1