2-[4-(azepan-1-ylcarbonyl)piperidin-1-ium-1-yl]-N-[3-(4-methylphenyl)-1,2-oxazol-5-yl]ethanamide

Systemtic Name: 2-[4-(azepan-1-ylcarbonyl)piperidin-1-ium-1-yl]-N-[3-(4-methylphenyl)-1,2-oxazol-5-yl]ethanamide Openeye Name: 2-[4-(azepane-1-carbonyl)piperidin-1-ium-1-yl]-N-[3-(p-tolyl)isoxazol-5-yl]acetamide CAS Name: 2-[4-[1-azepanyl(oxo)methyl]-1-piperidin-1-iumyl]-N-[3-(4-methylphenyl)-5-isoxazolyl]acetamide IUPAC Name: 2-[4-(azepane-1-carbonyl)piperidin-1-ium-1-yl]-N-[3-(4-methylphenyl)-1,2-oxazol-5-yl]acetamide Traditional Name: 2-[4-(azepane-1-carbonyl)piperidin-1-ium-1-yl]-N-[3-(p-tolyl)isoxazol-5-yl]acetamide Formula: C24H33N4O3+ MolecularWeight: 425.54382

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NOC(=C2)NC(=O)C[NH+]3CCC(CC3)C(=O)N4CCCCCC4

Isomeric SMILES

CC1=CC=C(C=C1)C2=NOC(=C2)NC(=O)C[NH+]3CCC(CC3)C(=O)N4CCCCCC4

InChI

InChI=1S/C24H32N4O3/c1-18-6-8-19(9-7-18)21-16-23(31-26-21)25-22(29)17-27-14-10-20(11-15-27)24(30)28-12-4-2-3-5-13-28/h6-9,16,20H,2-5,10-15,17H2,1H3,(H,25,29)/p+1