(2S)-3-methyl-N-[6-(4-methylpiperazin-4-ium-1-yl)pyridin-3-yl]-2-(2-phenylethanoylamino)butanamide

Systemtic Name: (2S)-3-methyl-N-[6-(4-methylpiperazin-4-ium-1-yl)pyridin-3-yl]-2-(2-phenylethanoylamino)butanamide Openeye Name: (2S)-3-methyl-N-[6-(4-methylpiperazin-4-ium-1-yl)-3-pyridyl]-2-[(2-phenylacetyl)amino]butanamide CAS Name: (2S)-3-methyl-N-[6-(4-methyl-1-piperazin-4-iumyl)-3-pyridinyl]-2-[(1-oxo-2-phenylethyl)amino]butanamide IUPAC Name: (2S)-3-methyl-N-[6-(4-methylpiperazin-4-ium-1-yl)pyridin-3-yl]-2-[(2-phenylacetyl)amino]butanamide Traditional Name: (2S)-3-methyl-N-[6-(4-methylpiperazin-4-ium-1-yl)-3-pyridyl]-2-[(2-phenylacetyl)amino]butyramide Formula: C23H32N5O2+ MolecularWeight: 410.53248

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC1=CN=C(C=C1)N2CC[NH+](CC2)C)NC(=O)CC3=CC=CC=C3

Isomeric SMILES

CC(C)[C@@H](C(=O)NC1=CN=C(C=C1)N2CC[NH+](CC2)C)NC(=O)CC3=CC=CC=C3

InChI

InChI=1S/C23H31N5O2/c1-17(2)22(26-21(29)15-18-7-5-4-6-8-18)23(30)25-19-9-10-20(24-16-19)28-13-11-27(3)12-14-28/h4-10,16-17,22H,11-15H2,1-3H3,(H,25,30)(H,26,29)/p+1/t22-/m0/s1