2-methyl-3-oxidanyl-4-pyrrolidin-1-yl-naphthalene-1-carbonitrile sulfate

Systemtic Name: 2-methyl-3-oxidanyl-4-pyrrolidin-1-yl-naphthalene-1-carbonitrile sulfate Openeye Name: 3-hydroxy-2-methyl-4-pyrrolidin-1-yl-naphthalene-1-carbonitrile sulfate CAS Name: 3-hydroxy-2-methyl-4-(1-pyrrolidinyl)-1-naphthalenecarbonitrile sulfate IUPAC Name: 3-hydroxy-2-methyl-4-pyrrolidin-1-ylnaphthalene-1-carbonitrile sulfate Traditional Name: 3-hydroxy-2-methyl-4-pyrrolidino-naphthalene-1-carbonitrile sulfate Formula: C16H16N2O5S-2 MolecularWeight: 348.37364

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC=CC=C2C(=C1O)N3CCCC3)C#N.[O-]S(=O)(=O)[O-]

Isomeric SMILES

CC1=C(C2=CC=CC=C2C(=C1O)N3CCCC3)C#N.[O-]S(=O)(=O)[O-]

InChI

InChI=1S/C16H16N2O.H2O4S/c1-11-14(10-17)12-6-2-3-7-13(12)15(16(11)19)18-8-4-5-9-18;1-5(2,3)4/h2-3,6-7,19H,4-5,8-9H2,1H3;(H2,1,2,3,4)/p-2