methanesulfonate; 2-methyl-3-oxidanyl-4-pyrrolidin-1-yl-naphthalene-1-carbonitrile

Systemtic Name: methanesulfonate; 2-methyl-3-oxidanyl-4-pyrrolidin-1-yl-naphthalene-1-carbonitrile Openeye Name: 3-hydroxy-2-methyl-4-pyrrolidin-1-yl-naphthalene-1-carbonitrile; methanesulfonate CAS Name: 3-hydroxy-2-methyl-4-(1-pyrrolidinyl)-1-naphthalenecarbonitrile; methanesulfonate IUPAC Name: 3-hydroxy-2-methyl-4-pyrrolidin-1-ylnaphthalene-1-carbonitrile; methanesulfonate Traditional Name: 3-hydroxy-2-methyl-4-pyrrolidino-naphthalene-1-carbonitrile mesylate Formula: C17H19N2O4S- MolecularWeight: 347.40876

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16N2O.CH4O3S/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;1H3,(H,2,3,4)/p-1