dihydrogen phosphate; (1-ethylpyrrolidin-2-yl)methyl-[(3-methoxy-1-benzothiophen-2-yl)carbonyl]azanium

Systemtic Name: dihydrogen phosphate; (1-ethylpyrrolidin-2-yl)methyl-[(3-methoxy-1-benzothiophen-2-yl)carbonyl]azanium Openeye Name: dihydrogen phosphate; (1-ethylpyrrolidin-2-yl)methyl-(3-methoxybenzothiophene-2-carbonyl)ammonium CAS Name: dihydrogen phosphate; (1-ethyl-2-pyrrolidinyl)methyl-[(3-methoxy-1-benzothiophen-2-yl)-oxomethyl]ammonium IUPAC Name: dihydrogen phosphate; (1-ethylpyrrolidin-2-yl)methyl-(3-methoxy-1-benzothiophene-2-carbonyl)azanium Traditional Name: dihydrogen phosphate; (1-ethylpyrrolidin-2-yl)methyl-(3-methoxybenzothiophene-2-carbonyl)ammonium Formula: C17H25N2O6PS MolecularWeight: 416.428961

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCCC1C[NH2+]C(=O)C2=C(C3=CC=CC=C3S2)OC.OP(=O)(O)[O-]

Isomeric SMILES

CCN1CCCC1C[NH2+]C(=O)C2=C(C3=CC=CC=C3S2)OC.OP(=O)(O)[O-]

InChI

InChI=1S/C17H22N2O2S.H3O4P/c1-3-19-10-6-7-12(19)11-18-17(20)16-15(21-2)13-8-4-5-9-14(13)22-16;1-5(2,3)4/h4-5,8-9,12H,3,6-7,10-11H2,1-2H3,(H,18,20);(H3,1,2,3,4)