N-[(1-ethylpyrrolidin-2-yl)methyl]-5-ethylsulfanyl-2-methoxy-benzamide phosphate

Systemtic Name: N-[(1-ethylpyrrolidin-2-yl)methyl]-5-ethylsulfanyl-2-methoxy-benzamide phosphate Openeye Name: N-[(1-ethylpyrrolidin-2-yl)methyl]-5-ethylsulfanyl-2-methoxy-benzamide phosphate CAS Name: N-[(1-ethyl-2-pyrrolidinyl)methyl]-5-(ethylthio)-2-methoxybenzamide phosphate IUPAC Name: N-[(1-ethylpyrrolidin-2-yl)methyl]-5-ethylsulfanyl-2-methoxybenzamide phosphate Traditional Name: N-[(1-ethylpyrrolidin-2-yl)methyl]-5-(ethylthio)-2-methoxy-benzamide phosphate Formula: C17H26N2O6PS-3 MolecularWeight: 417.436901

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCCC1CNC(=O)C2=C(C=CC(=C2)SCC)OC.[O-]P(=O)([O-])[O-]

Isomeric SMILES

CCN1CCCC1CNC(=O)C2=C(C=CC(=C2)SCC)OC.[O-]P(=O)([O-])[O-]

InChI

InChI=1S/C17H26N2O2S.H3O4P/c1-4-19-10-6-7-13(19)12-18-17(20)15-11-14(22-5-2)8-9-16(15)21-3;1-5(2,3)4/h8-9,11,13H,4-7,10,12H2,1-3H3,(H,18,20);(H3,1,2,3,4)/p-3