(2S)-1-[(1-ethylimidazol-2-yl)methyl]-N-[4-(2-methylimidazol-1-yl)phenyl]pyrrolidin-1-ium-2-carboxamide

Systemtic Name: (2S)-1-[(1-ethylimidazol-2-yl)methyl]-N-[4-(2-methylimidazol-1-yl)phenyl]pyrrolidin-1-ium-2-carboxamide Openeye Name: (2S)-1-[(1-ethylimidazol-2-yl)methyl]-N-[4-(2-methylimidazol-1-yl)phenyl]pyrrolidin-1-ium-2-carboxamide CAS Name: (2S)-1-[(1-ethyl-2-imidazolyl)methyl]-N-[4-(2-methyl-1-imidazolyl)phenyl]-2-pyrrolidin-1-iumcarboxamide IUPAC Name: (2S)-1-[(1-ethylimidazol-2-yl)methyl]-N-[4-(2-methylimidazol-1-yl)phenyl]pyrrolidin-1-ium-2-carboxamide Traditional Name: (2S)-1-[(1-ethylimidazol-2-yl)methyl]-N-[4-(2-methylimidazol-1-yl)phenyl]pyrrolidin-1-ium-2-carboxamide Formula: C21H27N6O+ MolecularWeight: 379.47868

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=CN=C1C[NH+]2CCCC2C(=O)NC3=CC=C(C=C3)N4C=CN=C4C

Isomeric SMILES

CCN1C=CN=C1C[NH+]2CCC[C@H]2C(=O)NC3=CC=C(C=C3)N4C=CN=C4C

InChI

InChI=1S/C21H26N6O/c1-3-25-13-10-23-20(25)15-26-12-4-5-19(26)21(28)24-17-6-8-18(9-7-17)27-14-11-22-16(27)2/h6-11,13-14,19H,3-5,12,15H2,1-2H3,(H,24,28)/p+1/t19-/m0/s1