(2R)-N-aminocarbonyl-2-phenyl-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)ethanamide

Systemtic Name: (2R)-N-aminocarbonyl-2-phenyl-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)ethanamide Openeye Name: (2R)-N-carbamoyl-2-phenyl-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)acetamide CAS Name: (2R)-N-carbamoyl-2-phenyl-2-[4-(2-pyridin-1-iumyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: (2R)-N-carbamoyl-2-phenyl-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)acetamide Traditional Name: (2R)-N-carbamoyl-2-phenyl-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)acetamide Formula: C18H23N5O2+2 MolecularWeight: 341.40752

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1C(C2=CC=CC=C2)C(=O)NC(=O)N)C3=CC=CC=[NH+]3

Isomeric SMILES

C1CN(CC[NH+]1[C@H](C2=CC=CC=C2)C(=O)NC(=O)N)C3=CC=CC=[NH+]3

InChI

InChI=1S/C18H21N5O2/c19-18(25)21-17(24)16(14-6-2-1-3-7-14)23-12-10-22(11-13-23)15-8-4-5-9-20-15/h1-9,16H,10-13H2,(H3,19,21,24,25)/p+2/t16-/m1/s1