6-chloranyl-5-methyl-2-pent-4-ynoxy-4-(phenylmethyl)-2H-pyrazin-4-ium-3-one

Systemtic Name: 6-chloranyl-5-methyl-2-pent-4-ynoxy-4-(phenylmethyl)-2H-pyrazin-4-ium-3-one Openeye Name: 4-benzyl-6-chloro-5-methyl-2-pent-4-ynoxy-2H-pyrazin-4-ium-3-one CAS Name: 6-chloro-5-methyl-2-pent-4-ynoxy-4-(phenylmethyl)-2H-pyrazin-4-ium-3-one IUPAC Name: 4-benzyl-6-chloro-5-methyl-2-pent-4-ynoxy-2H-pyrazin-4-ium-3-one Traditional Name: 4-benzyl-6-chloro-5-methyl-2-pent-4-ynoxy-2H-pyrazin-4-ium-3-one Formula: C17H18ClN2O2+ MolecularWeight: 317.79002

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18ClN2O2/c1-3-4-8-11-22-16-17(21)20(13(2)15(18)19-16)12-14-9-6-5-7-10-14/h1,5-7,9-10,16H,4,8,11-12H2,2H3/q+1