butyl-[[5-[(1-morpholin-4-ium-4-ylcyclohexyl)methylcarbamoyl]-6-oxidanylidene-1H-pyridin-2-yl]methyl]-(phenylmethyl)azanium

Systemtic Name: butyl-[[5-[(1-morpholin-4-ium-4-ylcyclohexyl)methylcarbamoyl]-6-oxidanylidene-1H-pyridin-2-yl]methyl]-(phenylmethyl)azanium Openeye Name: benzyl-butyl-[[5-[(1-morpholin-4-ium-4-ylcyclohexyl)methylcarbamoyl]-6-oxo-1H-pyridin-2-yl]methyl]ammonium CAS Name: butyl-[[5-[[[1-(4-morpholin-4-iumyl)cyclohexyl]methylamino]-oxomethyl]-6-oxo-1H-pyridin-2-yl]methyl]-(phenylmethyl)ammonium IUPAC Name: benzyl-butyl-[[5-[(1-morpholin-4-ium-4-ylcyclohexyl)methylcarbamoyl]-6-oxo-1H-pyridin-2-yl]methyl]azanium Traditional Name: benzyl-butyl-[[6-keto-5-[(1-morpholin-4-ium-4-ylcyclohexyl)methylcarbamoyl]-1H-pyridin-2-yl]methyl]ammonium Formula: C29H44N4O3+2 MolecularWeight: 496.68466

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[NH+](CC1=CC=CC=C1)CC2=CC=C(C(=O)N2)C(=O)NCC3(CCCCC3)[NH+]4CCOCC4

Isomeric SMILES

CCCC[NH+](CC1=CC=CC=C1)CC2=CC=C(C(=O)N2)C(=O)NCC3(CCCCC3)[NH+]4CCOCC4

InChI

InChI=1S/C29H42N4O3/c1-2-3-16-32(21-24-10-6-4-7-11-24)22-25-12-13-26(28(35)31-25)27(34)30-23-29(14-8-5-9-15-29)33-17-19-36-20-18-33/h4,6-7,10-13H,2-3,5,8-9,14-23H2,1H3,(H,30,34)(H,31,35)/p+2