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

Systemtic Name: 1-ethyl-1-(3-methylpentyl)-3-(2-phenylphenyl)pyrrolidin-1-ium-3-carboxamide Openeye Name: 1-ethyl-1-(3-methylpentyl)-3-(2-phenylphenyl)pyrrolidin-1-ium-3-carboxamide CAS Name: 1-ethyl-1-(3-methylpentyl)-3-(2-phenylphenyl)-3-pyrrolidin-1-iumcarboxamide IUPAC Name: 1-ethyl-1-(3-methylpentyl)-3-(2-phenylphenyl)pyrrolidin-1-ium-3-carboxamide Traditional Name: 1-ethyl-1-(3-methylpentyl)-3-(2-phenylphenyl)pyrrolidin-1-ium-3-carboxamide Formula: C25H35N2O+ MolecularWeight: 379.5582

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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

Isomeric SMILES

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

InChI

InChI=1S/C25H34N2O/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/h6-14,20H,4-5,15-19H2,1-3H3,(H-,26,28)/p+1