N-ethyl-N-[(1-methylimidazol-2-yl)methyl]-6-[(2S)-2-pyridin-2-ylpyrrolidin-1-yl]pyridin-1-ium-3-carboxamide

Systemtic Name: N-ethyl-N-[(1-methylimidazol-2-yl)methyl]-6-[(2S)-2-pyridin-2-ylpyrrolidin-1-yl]pyridin-1-ium-3-carboxamide Openeye Name: N-ethyl-N-[(1-methylimidazol-2-yl)methyl]-6-[(2S)-2-(2-pyridyl)pyrrolidin-1-yl]pyridin-1-ium-3-carboxamide CAS Name: N-ethyl-N-[(1-methyl-2-imidazolyl)methyl]-6-[(2S)-2-(2-pyridinyl)-1-pyrrolidinyl]-3-pyridin-1-iumcarboxamide IUPAC Name: N-ethyl-N-[(1-methylimidazol-2-yl)methyl]-6-[(2S)-2-pyridin-2-ylpyrrolidin-1-yl]pyridin-1-ium-3-carboxamide Traditional Name: N-ethyl-N-[(1-methylimidazol-2-yl)methyl]-6-[(2S)-2-(2-pyridyl)pyrrolidino]pyridin-1-ium-3-carboxamide Formula: C22H27N6O+ MolecularWeight: 391.48938

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=NC=CN1C)C(=O)C2=C[NH+]=C(C=C2)N3CCCC3C4=CC=CC=N4

Isomeric SMILES

CCN(CC1=NC=CN1C)C(=O)C2=C[NH+]=C(C=C2)N3CCC[C@H]3C4=CC=CC=N4

InChI

InChI=1S/C22H26N6O/c1-3-27(16-21-24-12-14-26(21)2)22(29)17-9-10-20(25-15-17)28-13-6-8-19(28)18-7-4-5-11-23-18/h4-5,7,9-12,14-15,19H,3,6,8,13,16H2,1-2H3/p+1/t19-/m0/s1