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

Systemtic Name: (2S)-N-(2-methylpropyl)-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)propanamide Openeye Name: (2S)-N-isobutyl-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)propanamide CAS Name: (2S)-N-(2-methylpropyl)-2-[4-(2-pyridin-1-iumyl)-1-piperazin-1-iumyl]propanamide IUPAC Name: (2S)-N-(2-methylpropyl)-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)propanamide Traditional Name: (2S)-N-isobutyl-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)propionamide Formula: C16H28N4O+2 MolecularWeight: 292.41972

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H26N4O/c1-13(2)12-18-16(21)14(3)19-8-10-20(11-9-19)15-6-4-5-7-17-15/h4-7,13-14H,8-12H2,1-3H3,(H,18,21)/p+2/t14-/m0/s1