(2R)-2-[4-(azepan-1-ylcarbonyl)piperidin-1-ium-1-yl]-N-(4-morpholin-4-ylphenyl)propanamide

Systemtic Name: (2R)-2-[4-(azepan-1-ylcarbonyl)piperidin-1-ium-1-yl]-N-(4-morpholin-4-ylphenyl)propanamide Openeye Name: (2R)-2-[4-(azepane-1-carbonyl)piperidin-1-ium-1-yl]-N-(4-morpholinophenyl)propanamide CAS Name: (2R)-2-[4-[1-azepanyl(oxo)methyl]-1-piperidin-1-iumyl]-N-[4-(4-morpholinyl)phenyl]propanamide IUPAC Name: (2R)-2-[4-(azepane-1-carbonyl)piperidin-1-ium-1-yl]-N-(4-morpholin-4-ylphenyl)propanamide Traditional Name: (2R)-2-[4-(azepane-1-carbonyl)piperidin-1-ium-1-yl]-N-(4-morpholinophenyl)propionamide Formula: C25H39N4O3+ MolecularWeight: 443.60216

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)N2CCOCC2)[NH+]3CCC(CC3)C(=O)N4CCCCCC4

Isomeric SMILES

C[C@H](C(=O)NC1=CC=C(C=C1)N2CCOCC2)[NH+]3CCC(CC3)C(=O)N4CCCCCC4

InChI

InChI=1S/C25H38N4O3/c1-20(24(30)26-22-6-8-23(9-7-22)28-16-18-32-19-17-28)27-14-10-21(11-15-27)25(31)29-12-4-2-3-5-13-29/h6-9,20-21H,2-5,10-19H2,1H3,(H,26,30)/p+1/t20-/m1/s1