2-[2-oxidanylidene-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethoxy]-N-[(2R)-4-phenylbutan-2-yl]ethanamide

Systemtic Name: 2-[2-oxidanylidene-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethoxy]-N-[(2R)-4-phenylbutan-2-yl]ethanamide Openeye Name: N-[(1R)-1-methyl-3-phenyl-propyl]-2-[2-oxo-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethoxy]acetamide CAS Name: 2-[2-oxo-2-[4-(2-pyridin-1-iumyl)-1-piperazinyl]ethoxy]-N-[(2R)-4-phenylbutan-2-yl]acetamide IUPAC Name: 2-[2-oxo-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethoxy]-N-[(2R)-4-phenylbutan-2-yl]acetamide Traditional Name: 2-[2-keto-2-(4-pyridin-1-ium-2-ylpiperazino)ethoxy]-N-[(1R)-1-methyl-3-phenyl-propyl]acetamide Formula: C23H31N4O3+ MolecularWeight: 411.51724

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=CC=CC=C1)NC(=O)COCC(=O)N2CCN(CC2)C3=CC=CC=[NH+]3

Isomeric SMILES

C[C@H](CCC1=CC=CC=C1)NC(=O)COCC(=O)N2CCN(CC2)C3=CC=CC=[NH+]3

InChI

InChI=1S/C23H30N4O3/c1-19(10-11-20-7-3-2-4-8-20)25-22(28)17-30-18-23(29)27-15-13-26(14-16-27)21-9-5-6-12-24-21/h2-9,12,19H,10-11,13-18H2,1H3,(H,25,28)/p+1/t19-/m1/s1