(2S)-N-(propan-2-ylcarbamoyl)-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)propanamide

Systemtic Name: (2S)-N-(propan-2-ylcarbamoyl)-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)propanamide Openeye Name: (2S)-N-(isopropylcarbamoyl)-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)propanamide CAS Name: (2S)-N-[oxo-(propan-2-ylamino)methyl]-2-[4-(2-pyridin-1-iumyl)-1-piperazin-1-iumyl]propanamide IUPAC Name: (2S)-N-(propan-2-ylcarbamoyl)-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)propanamide Traditional Name: (2S)-N-(isopropylcarbamoyl)-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)propionamide Formula: C16H27N5O2+2 MolecularWeight: 321.41788

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)NC(=O)C(C)[NH+]1CCN(CC1)C2=CC=CC=[NH+]2

Isomeric SMILES

C[C@@H](C(=O)NC(=O)NC(C)C)[NH+]1CCN(CC1)C2=CC=CC=[NH+]2

InChI

InChI=1S/C16H25N5O2/c1-12(2)18-16(23)19-15(22)13(3)20-8-10-21(11-9-20)14-6-4-5-7-17-14/h4-7,12-13H,8-11H2,1-3H3,(H2,18,19,22,23)/p+2/t13-/m0/s1