(2S)-N-(5-methyl-1,2-oxazol-3-yl)-2-(4-piperidin-1-ium-1-ylpiperidin-1-ium-1-yl)propanamide

Systemtic Name: (2S)-N-(5-methyl-1,2-oxazol-3-yl)-2-(4-piperidin-1-ium-1-ylpiperidin-1-ium-1-yl)propanamide Openeye Name: (2S)-N-(5-methylisoxazol-3-yl)-2-(4-piperidin-1-ium-1-ylpiperidin-1-ium-1-yl)propanamide CAS Name: (2S)-N-(5-methyl-3-isoxazolyl)-2-[4-(1-piperidin-1-iumyl)-1-piperidin-1-iumyl]propanamide IUPAC Name: (2S)-N-(5-methyl-1,2-oxazol-3-yl)-2-(4-piperidin-1-ium-1-ylpiperidin-1-ium-1-yl)propanamide Traditional Name: (2S)-N-(5-methylisoxazol-3-yl)-2-(4-piperidin-1-ium-1-ylpiperidin-1-ium-1-yl)propionamide Formula: C17H30N4O2+2 MolecularWeight: 322.4457

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)NC(=O)C(C)[NH+]2CCC(CC2)[NH+]3CCCCC3

Isomeric SMILES

CC1=CC(=NO1)NC(=O)[C@H](C)[NH+]2CCC(CC2)[NH+]3CCCCC3

InChI

InChI=1S/C17H28N4O2/c1-13-12-16(19-23-13)18-17(22)14(2)20-10-6-15(7-11-20)21-8-4-3-5-9-21/h12,14-15H,3-11H2,1-2H3,(H,18,19,22)/p+2/t14-/m0/s1