(2R)-N-[4-(2-methylimidazol-1-yl)phenyl]-1-(pyridin-4-ylmethyl)pyrrolidin-1-ium-2-carboxamide

Systemtic Name: (2R)-N-[4-(2-methylimidazol-1-yl)phenyl]-1-(pyridin-4-ylmethyl)pyrrolidin-1-ium-2-carboxamide Openeye Name: (2R)-N-[4-(2-methylimidazol-1-yl)phenyl]-1-(4-pyridylmethyl)pyrrolidin-1-ium-2-carboxamide CAS Name: (2R)-N-[4-(2-methyl-1-imidazolyl)phenyl]-1-(pyridin-4-ylmethyl)-2-pyrrolidin-1-iumcarboxamide IUPAC Name: (2R)-N-[4-(2-methylimidazol-1-yl)phenyl]-1-(pyridin-4-ylmethyl)pyrrolidin-1-ium-2-carboxamide Traditional Name: (2R)-N-[4-(2-methylimidazol-1-yl)phenyl]-1-(4-pyridylmethyl)pyrrolidin-1-ium-2-carboxamide Formula: C21H24N5O+ MolecularWeight: 362.44816

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=CN1C2=CC=C(C=C2)NC(=O)C3CCC[NH+]3CC4=CC=NC=C4

Isomeric SMILES

CC1=NC=CN1C2=CC=C(C=C2)NC(=O)[C@H]3CCC[NH+]3CC4=CC=NC=C4

InChI

InChI=1S/C21H23N5O/c1-16-23-12-14-26(16)19-6-4-18(5-7-19)24-21(27)20-3-2-13-25(20)15-17-8-10-22-11-9-17/h4-12,14,20H,2-3,13,15H2,1H3,(H,24,27)/p+1/t20-/m1/s1