N-[(3R)-1-(cyclohexylmethyl)-5-oxidanylidene-pyrrolidin-3-yl]-2-(methylamino)pyridin-1-ium-4-carboxamide

Systemtic Name: N-[(3R)-1-(cyclohexylmethyl)-5-oxidanylidene-pyrrolidin-3-yl]-2-(methylamino)pyridin-1-ium-4-carboxamide Openeye Name: N-[(3R)-1-(cyclohexylmethyl)-5-oxo-pyrrolidin-3-yl]-2-(methylamino)pyridin-1-ium-4-carboxamide CAS Name: N-[(3R)-1-(cyclohexylmethyl)-5-oxo-3-pyrrolidinyl]-2-(methylamino)-4-pyridin-1-iumcarboxamide IUPAC Name: N-[(3R)-1-(cyclohexylmethyl)-5-oxopyrrolidin-3-yl]-2-(methylamino)pyridin-1-ium-4-carboxamide Traditional Name: N-[(3R)-1-(cyclohexylmethyl)-5-keto-pyrrolidin-3-yl]-2-(methylamino)pyridin-1-ium-4-carboxamide Formula: C18H27N4O2+ MolecularWeight: 331.43258

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=[NH+]C=CC(=C1)C(=O)NC2CC(=O)N(C2)CC3CCCCC3

Isomeric SMILES

CNC1=[NH+]C=CC(=C1)C(=O)N[C@@H]2CC(=O)N(C2)CC3CCCCC3

InChI

InChI=1S/C18H26N4O2/c1-19-16-9-14(7-8-20-16)18(24)21-15-10-17(23)22(12-15)11-13-5-3-2-4-6-13/h7-9,13,15H,2-6,10-12H2,1H3,(H,19,20)(H,21,24)/p+1/t15-/m1/s1