1-[(3R)-1-(2-chlorophenyl)-5-oxidanylidene-pyrrolidin-3-yl]carbonyl-6-(propan-2-ylamino)pyridin-1-ium-3-carbonitrile

Systemtic Name: 1-[(3R)-1-(2-chlorophenyl)-5-oxidanylidene-pyrrolidin-3-yl]carbonyl-6-(propan-2-ylamino)pyridin-1-ium-3-carbonitrile Openeye Name: 1-[(3R)-1-(2-chlorophenyl)-5-oxo-pyrrolidine-3-carbonyl]-6-(isopropylamino)pyridin-1-ium-3-carbonitrile CAS Name: 1-[[(3R)-1-(2-chlorophenyl)-5-oxo-3-pyrrolidinyl]-oxomethyl]-6-(propan-2-ylamino)-3-pyridin-1-iumcarbonitrile IUPAC Name: 1-[(3R)-1-(2-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]-6-(propan-2-ylamino)pyridin-1-ium-3-carbonitrile Traditional Name: 1-[(3R)-1-(2-chlorophenyl)-5-keto-pyrrolidine-3-carbonyl]-6-(isopropylamino)pyridin-1-ium-3-carbonitrile Formula: C20H20ClN4O2+ MolecularWeight: 383.8514

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC1=[N+](C=C(C=C1)C#N)C(=O)C2CC(=O)N(C2)C3=CC=CC=C3Cl

Isomeric SMILES

CC(C)NC1=[N+](C=C(C=C1)C#N)C(=O)[C@@H]2CC(=O)N(C2)C3=CC=CC=C3Cl

InChI

InChI=1S/C20H19ClN4O2/c1-13(2)23-18-8-7-14(10-22)11-25(18)20(27)15-9-19(26)24(12-15)17-6-4-3-5-16(17)21/h3-8,11,13,15H,9,12H2,1-2H3/p+1/t15-/m1/s1