[(3S)-1-[5-(butylcarbamoyl)-4-oxidanylidene-1-propan-2-yl-pyridin-3-yl]carbonylpyrrolidin-3-yl]-diethyl-azanium

Systemtic Name: [(3S)-1-[5-(butylcarbamoyl)-4-oxidanylidene-1-propan-2-yl-pyridin-3-yl]carbonylpyrrolidin-3-yl]-diethyl-azanium Openeye Name: [(3S)-1-[5-(butylcarbamoyl)-1-isopropyl-4-oxo-pyridine-3-carbonyl]pyrrolidin-3-yl]-diethyl-ammonium CAS Name: [(3S)-1-[[5-[butylamino(oxo)methyl]-4-oxo-1-propan-2-yl-3-pyridinyl]-oxomethyl]-3-pyrrolidinyl]-diethylammonium IUPAC Name: [(3S)-1-[5-(butylcarbamoyl)-4-oxo-1-propan-2-ylpyridine-3-carbonyl]pyrrolidin-3-yl]-diethylazanium Traditional Name: [(3S)-1-[5-(butylcarbamoyl)-1-isopropyl-4-keto-nicotinoyl]pyrrolidin-3-yl]-diethyl-ammonium Formula: C22H37N4O3+ MolecularWeight: 405.55418

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C1=CN(C=C(C1=O)C(=O)N2CCC(C2)[NH+](CC)CC)C(C)C

Isomeric SMILES

CCCCNC(=O)C1=CN(C=C(C1=O)C(=O)N2CC[C@@H](C2)[NH+](CC)CC)C(C)C

InChI

InChI=1S/C22H36N4O3/c1-6-9-11-23-21(28)18-14-26(16(4)5)15-19(20(18)27)22(29)25-12-10-17(13-25)24(7-2)8-3/h14-17H,6-13H2,1-5H3,(H,23,28)/p+1/t17-/m0/s1