3-buta-1,3-dien-2-yl-1H-imidazol-3-ium; chloranylmethane

Systemtic Name: 3-buta-1,3-dien-2-yl-1H-imidazol-3-ium; chloranylmethane Openeye Name: chloromethane; 3-(1-methyleneallyl)-1H-imidazol-3-ium CAS Name: 3-buta-1,3-dien-2-yl-1H-imidazol-3-ium; chloromethane IUPAC Name: 3-buta-1,3-dien-2-yl-1H-imidazol-3-ium; chloromethane Traditional Name: chloromethane; 3-(1-methyleneallyl)-1H-imidazol-3-ium Formula: C8H12ClN2+ MolecularWeight: 171.64728

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Descriptors Computed from Structure

Canonical SMILES:

CCl.C=CC(=C)[N+]1=CNC=C1

Isomeric SMILES

CCl.C=CC(=C)[N+]1=CNC=C1

InChI

InChI=1S/C7H8N2.CH3Cl/c1-3-7(2)9-5-4-8-6-9;1-2/h3-6H,1-2H2;1H3/p+1