1-(3-oxidanylpropyl)-N-(2,4,6-trimethylphenyl)pyrrolidin-1-ium-2-carboxamide

Systemtic Name: 1-(3-oxidanylpropyl)-N-(2,4,6-trimethylphenyl)pyrrolidin-1-ium-2-carboxamide Openeye Name: 1-(3-hydroxypropyl)-N-(2,4,6-trimethylphenyl)pyrrolidin-1-ium-2-carboxamide CAS Name: 1-(3-hydroxypropyl)-N-(2,4,6-trimethylphenyl)-2-pyrrolidin-1-iumcarboxamide IUPAC Name: 1-(3-hydroxypropyl)-N-(2,4,6-trimethylphenyl)pyrrolidin-1-ium-2-carboxamide Traditional Name: 1-(3-hydroxypropyl)-N-mesityl-pyrrolidin-1-ium-2-carboxamide Formula: C17H27N2O2+ MolecularWeight: 291.40848

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)NC(=O)C2CCC[NH+]2CCCO)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)NC(=O)C2CCC[NH+]2CCCO)C

InChI

InChI=1S/C17H26N2O2/c1-12-10-13(2)16(14(3)11-12)18-17(21)15-6-4-7-19(15)8-5-9-20/h10-11,15,20H,4-9H2,1-3H3,(H,18,21)/p+1