3-but-3-ynylimino-5-chloranyl-6-methyl-1-(phenylmethyl)pyrazin-1-ium-2-one

Systemtic Name: 3-but-3-ynylimino-5-chloranyl-6-methyl-1-(phenylmethyl)pyrazin-1-ium-2-one Openeye Name: 1-benzyl-3-but-3-ynylimino-5-chloro-6-methyl-pyrazin-1-ium-2-one CAS Name: 3-but-3-ynylimino-5-chloro-6-methyl-1-(phenylmethyl)-2-pyrazin-1-iumone IUPAC Name: 1-benzyl-3-but-3-ynylimino-5-chloro-6-methylpyrazin-1-ium-2-one Traditional Name: 1-benzyl-3-but-3-ynylimino-5-chloro-6-methyl-pyrazin-1-ium-2-one Formula: C16H15ClN3O+ MolecularWeight: 300.7628

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C(=O)C(=NCCC#C)N=C1Cl)CC2=CC=CC=C2

Isomeric SMILES

CC1=[N+](C(=O)C(=NCCC#C)N=C1Cl)CC2=CC=CC=C2

InChI

InChI=1S/C16H15ClN3O/c1-3-4-10-18-15-16(21)20(12(2)14(17)19-15)11-13-8-6-5-7-9-13/h1,5-9H,4,10-11H2,2H3/q+1