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

Systemtic Name: (2R)-2-[4-(azepan-1-ylcarbonyl)piperidin-1-ium-1-yl]-N-(cyclohexylcarbamoyl)propanamide Openeye Name: (2R)-2-[4-(azepane-1-carbonyl)piperidin-1-ium-1-yl]-N-(cyclohexylcarbamoyl)propanamide CAS Name: (2R)-2-[4-[1-azepanyl(oxo)methyl]-1-piperidin-1-iumyl]-N-[(cyclohexylamino)-oxomethyl]propanamide IUPAC Name: (2R)-2-[4-(azepane-1-carbonyl)piperidin-1-ium-1-yl]-N-(cyclohexylcarbamoyl)propanamide Traditional Name: (2R)-2-[4-(azepane-1-carbonyl)piperidin-1-ium-1-yl]-N-(cyclohexylcarbamoyl)propionamide Formula: C22H39N4O3+ MolecularWeight: 407.57006

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(=O)NC1CCCCC1)[NH+]2CCC(CC2)C(=O)N3CCCCCC3

Isomeric SMILES

C[C@H](C(=O)NC(=O)NC1CCCCC1)[NH+]2CCC(CC2)C(=O)N3CCCCCC3

InChI

InChI=1S/C22H38N4O3/c1-17(20(27)24-22(29)23-19-9-5-4-6-10-19)25-15-11-18(12-16-25)21(28)26-13-7-2-3-8-14-26/h17-19H,2-16H2,1H3,(H2,23,24,27,29)/p+1/t17-/m1/s1