(2R)-N-cyclopentyl-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)propanamide

Systemtic Name: (2R)-N-cyclopentyl-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)propanamide Openeye Name: (2R)-N-cyclopentyl-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)propanamide CAS Name: (2R)-N-cyclopentyl-2-[4-(2-pyridin-1-iumyl)-1-piperazin-1-iumyl]propanamide IUPAC Name: (2R)-N-cyclopentyl-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)propanamide Traditional Name: (2R)-N-cyclopentyl-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)propionamide Formula: C17H28N4O+2 MolecularWeight: 304.43042

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1CCCC1)[NH+]2CCN(CC2)C3=CC=CC=[NH+]3

Isomeric SMILES

C[C@H](C(=O)NC1CCCC1)[NH+]2CCN(CC2)C3=CC=CC=[NH+]3

InChI

InChI=1S/C17H26N4O/c1-14(17(22)19-15-6-2-3-7-15)20-10-12-21(13-11-20)16-8-4-5-9-18-16/h4-5,8-9,14-15H,2-3,6-7,10-13H2,1H3,(H,19,22)/p+2/t14-/m1/s1