N-[(2R)-4-phenylbutan-2-yl]-2-[4-(pyridin-2-ylmethyl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-[(2R)-4-phenylbutan-2-yl]-2-[4-(pyridin-2-ylmethyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-[(1R)-1-methyl-3-phenyl-propyl]-2-[4-(2-pyridylmethyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-[(2R)-4-phenylbutan-2-yl]-2-[4-(2-pyridinylmethyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-[(2R)-4-phenylbutan-2-yl]-2-[4-(pyridin-2-ylmethyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-[(1R)-1-methyl-3-phenyl-propyl]-2-[4-(2-pyridylmethyl)piperazin-1-ium-1-yl]acetamide Formula: C22H31N4O+ MolecularWeight: 367.50774

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=CC=CC=C1)NC(=O)C[NH+]2CCN(CC2)CC3=CC=CC=N3

Isomeric SMILES

C[C@H](CCC1=CC=CC=C1)NC(=O)C[NH+]2CCN(CC2)CC3=CC=CC=N3

InChI

InChI=1S/C22H30N4O/c1-19(10-11-20-7-3-2-4-8-20)24-22(27)18-26-15-13-25(14-16-26)17-21-9-5-6-12-23-21/h2-9,12,19H,10-11,13-18H2,1H3,(H,24,27)/p+1/t19-/m1/s1