hydrogen sulfate; 1-[(2-oxidanylidene-3,4-dihydropyrrol-1-ium-1-yl)methyl]naphthalene-2-carbonitrile

Systemtic Name: hydrogen sulfate; 1-[(2-oxidanylidene-3,4-dihydropyrrol-1-ium-1-yl)methyl]naphthalene-2-carbonitrile Openeye Name: hydrogen sulfate; 1-[(2-oxo-3,4-dihydropyrrol-1-ium-1-yl)methyl]naphthalene-2-carbonitrile CAS Name: hydrogen sulfate; 1-[(2-oxo-3,4-dihydropyrrol-1-ium-1-yl)methyl]-2-naphthalenecarbonitrile IUPAC Name: hydrogen sulfate; 1-[(2-oxo-3,4-dihydropyrrol-1-ium-1-yl)methyl]naphthalene-2-carbonitrile Traditional Name: 1-[(2-keto-1-pyrrolin-1-ium-1-yl)methyl]naphthalene-2-carbonitrile bisulfate Formula: C16H14N2O5S MolecularWeight: 346.35776

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)[N+](=C1)CC2=C(C=CC3=CC=CC=C32)C#N.OS(=O)(=O)[O-]

Isomeric SMILES

C1CC(=O)[N+](=C1)CC2=C(C=CC3=CC=CC=C32)C#N.OS(=O)(=O)[O-]

InChI

InChI=1S/C16H13N2O.H2O4S/c17-10-13-8-7-12-4-1-2-5-14(12)15(13)11-18-9-3-6-16(18)19;1-5(2,3)4/h1-2,4-5,7-9H,3,6,11H2;(H2,1,2,3,4)/q+1;/p-1