N-[(1S)-2-methyl-1-phenyl-propyl]-2-[4-(pyridin-2-ylmethyl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-[(1S)-2-methyl-1-phenyl-propyl]-2-[4-(pyridin-2-ylmethyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-[(1S)-2-methyl-1-phenyl-propyl]-2-[4-(2-pyridylmethyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-[(1S)-2-methyl-1-phenylpropyl]-2-[4-(2-pyridinylmethyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-[(1S)-2-methyl-1-phenylpropyl]-2-[4-(pyridin-2-ylmethyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-[(1S)-2-methyl-1-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(C)C(C1=CC=CC=C1)NC(=O)C[NH+]2CCN(CC2)CC3=CC=CC=N3

Isomeric SMILES

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

InChI

InChI=1S/C22H30N4O/c1-18(2)22(19-8-4-3-5-9-19)24-21(27)17-26-14-12-25(13-15-26)16-20-10-6-7-11-23-20/h3-11,18,22H,12-17H2,1-2H3,(H,24,27)/p+1/t22-/m0/s1