N-(2,3-dimethylphenyl)-N-[2-oxidanylidene-2-(propan-2-ylamino)ethyl]-6-pyrrolidin-1-yl-pyridin-1-ium-3-carboxamide

Systemtic Name: N-(2,3-dimethylphenyl)-N-[2-oxidanylidene-2-(propan-2-ylamino)ethyl]-6-pyrrolidin-1-yl-pyridin-1-ium-3-carboxamide Openeye Name: N-(2,3-dimethylphenyl)-N-[2-(isopropylamino)-2-oxo-ethyl]-6-pyrrolidin-1-yl-pyridin-1-ium-3-carboxamide CAS Name: N-(2,3-dimethylphenyl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]-6-(1-pyrrolidinyl)-3-pyridin-1-iumcarboxamide IUPAC Name: N-(2,3-dimethylphenyl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]-6-pyrrolidin-1-ylpyridin-1-ium-3-carboxamide Traditional Name: N-(2,3-dimethylphenyl)-N-[2-(isopropylamino)-2-keto-ethyl]-6-pyrrolidino-pyridin-1-ium-3-carboxamide Formula: C23H31N4O2+ MolecularWeight: 395.51784

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N(CC(=O)NC(C)C)C(=O)C2=C[NH+]=C(C=C2)N3CCCC3)C

Isomeric SMILES

CC1=C(C(=CC=C1)N(CC(=O)NC(C)C)C(=O)C2=C[NH+]=C(C=C2)N3CCCC3)C

InChI

InChI=1S/C23H30N4O2/c1-16(2)25-22(28)15-27(20-9-7-8-17(3)18(20)4)23(29)19-10-11-21(24-14-19)26-12-5-6-13-26/h7-11,14,16H,5-6,12-13,15H2,1-4H3,(H,25,28)/p+1