1-ethyl-1-(3-methylpentyl)-3-(2-phenylphenyl)pyrrolidin-1-ium-3-carboxamide phosphate

Systemtic Name: 1-ethyl-1-(3-methylpentyl)-3-(2-phenylphenyl)pyrrolidin-1-ium-3-carboxamide phosphate Openeye Name: 1-ethyl-1-(3-methylpentyl)-3-(2-phenylphenyl)pyrrolidin-1-ium-3-carboxamide phosphate CAS Name: 1-ethyl-1-(3-methylpentyl)-3-(2-phenylphenyl)-3-pyrrolidin-1-iumcarboxamide phosphate IUPAC Name: 1-ethyl-1-(3-methylpentyl)-3-(2-phenylphenyl)pyrrolidin-1-ium-3-carboxamide phosphate Traditional Name: 1-ethyl-1-(3-methylpentyl)-3-(2-phenylphenyl)pyrrolidin-1-ium-3-carboxamide phosphate Formula: C25H35N2O5P-2 MolecularWeight: 474.529561

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)CC[N+]1(CCC(C1)(C2=CC=CC=C2C3=CC=CC=C3)C(=O)N)CC.[O-]P(=O)([O-])[O-]

Isomeric SMILES

CCC(C)CC[N+]1(CCC(C1)(C2=CC=CC=C2C3=CC=CC=C3)C(=O)N)CC.[O-]P(=O)([O-])[O-]

InChI

InChI=1S/C25H34N2O.H3O4P/c1-4-20(3)15-17-27(5-2)18-16-25(19-27,24(26)28)23-14-10-9-13-22(23)21-11-7-6-8-12-21;1-5(2,3)4/h6-14,20H,4-5,15-19H2,1-3H3,(H-,26,28);(H3,1,2,3,4)/p-2