N-[(1R)-1,2-diphenylethyl]-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)ethanamide

Systemtic Name: N-[(1R)-1,2-diphenylethyl]-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)ethanamide Openeye Name: N-[(1R)-1,2-diphenylethyl]-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)acetamide CAS Name: N-[(1R)-1,2-diphenylethyl]-2-[4-(2-pyridin-1-iumyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-[(1R)-1,2-diphenylethyl]-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)acetamide Traditional Name: N-[(1R)-1,2-diphenylethyl]-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)acetamide Formula: C25H30N4O+2 MolecularWeight: 402.5319

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NC(CC2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=[NH+]4

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)N[C@H](CC2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=[NH+]4

InChI

InChI=1S/C25H28N4O/c30-25(20-28-15-17-29(18-16-28)24-13-7-8-14-26-24)27-23(22-11-5-2-6-12-22)19-21-9-3-1-4-10-21/h1-14,23H,15-20H2,(H,27,30)/p+2/t23-/m1/s1