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

Systemtic Name: [(3S)-1-[5-(butylcarbamoyl)-1-cyclohexyl-4-oxidanylidene-pyridin-3-yl]carbonylpyrrolidin-3-yl]-diethyl-azanium Openeye Name: [(3S)-1-[5-(butylcarbamoyl)-1-cyclohexyl-4-oxo-pyridine-3-carbonyl]pyrrolidin-3-yl]-diethyl-ammonium CAS Name: [(3S)-1-[[5-[butylamino(oxo)methyl]-1-cyclohexyl-4-oxo-3-pyridinyl]-oxomethyl]-3-pyrrolidinyl]-diethylammonium IUPAC Name: [(3S)-1-[5-(butylcarbamoyl)-1-cyclohexyl-4-oxopyridine-3-carbonyl]pyrrolidin-3-yl]-diethylazanium Traditional Name: [(3S)-1-[5-(butylcarbamoyl)-1-cyclohexyl-4-keto-nicotinoyl]pyrrolidin-3-yl]-diethyl-ammonium Formula: C25H41N4O3+ MolecularWeight: 445.61804

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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)C3CCCCC3

Isomeric SMILES

CCCCNC(=O)C1=CN(C=C(C1=O)C(=O)N2CC[C@@H](C2)[NH+](CC)CC)C3CCCCC3

InChI

InChI=1S/C25H40N4O3/c1-4-7-14-26-24(31)21-17-29(19-11-9-8-10-12-19)18-22(23(21)30)25(32)28-15-13-20(16-28)27(5-2)6-3/h17-20H,4-16H2,1-3H3,(H,26,31)/p+1/t20-/m0/s1