(2S)-N-(furan-2-ylmethyl)-1-[(4-propan-2-ylphenyl)methyl]pyrrolidin-1-ium-2-carboxamide

Systemtic Name: (2S)-N-(furan-2-ylmethyl)-1-[(4-propan-2-ylphenyl)methyl]pyrrolidin-1-ium-2-carboxamide Openeye Name: (2S)-N-(2-furylmethyl)-1-[(4-isopropylphenyl)methyl]pyrrolidin-1-ium-2-carboxamide CAS Name: (2S)-N-(2-furanylmethyl)-1-[(4-propan-2-ylphenyl)methyl]-2-pyrrolidin-1-iumcarboxamide IUPAC Name: (2S)-N-(furan-2-ylmethyl)-1-[(4-propan-2-ylphenyl)methyl]pyrrolidin-1-ium-2-carboxamide Traditional Name: (2S)-N-(2-furfuryl)-1-(4-isopropylbenzyl)pyrrolidin-1-ium-2-carboxamide Formula: C20H27N2O2+ MolecularWeight: 327.44058

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C[NH+]2CCCC2C(=O)NCC3=CC=CO3

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C[NH+]2CCC[C@H]2C(=O)NCC3=CC=CO3

InChI

InChI=1S/C20H26N2O2/c1-15(2)17-9-7-16(8-10-17)14-22-11-3-6-19(22)20(23)21-13-18-5-4-12-24-18/h4-5,7-10,12,15,19H,3,6,11,13-14H2,1-2H3,(H,21,23)/p+1/t19-/m0/s1