(2S)-3-methyl-N-(4-methylpiperazin-4-ium-1-yl)-2-(2-phenylethanoylamino)butanamide

Systemtic Name: (2S)-3-methyl-N-(4-methylpiperazin-4-ium-1-yl)-2-(2-phenylethanoylamino)butanamide Openeye Name: (2S)-3-methyl-N-(4-methylpiperazin-4-ium-1-yl)-2-[(2-phenylacetyl)amino]butanamide CAS Name: (2S)-3-methyl-N-(4-methyl-1-piperazin-4-iumyl)-2-[(1-oxo-2-phenylethyl)amino]butanamide IUPAC Name: (2S)-3-methyl-N-(4-methylpiperazin-4-ium-1-yl)-2-[(2-phenylacetyl)amino]butanamide Traditional Name: (2S)-3-methyl-N-(4-methylpiperazin-4-ium-1-yl)-2-[(2-phenylacetyl)amino]butyramide Formula: C18H29N4O2+ MolecularWeight: 333.44846

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NN1CC[NH+](CC1)C)NC(=O)CC2=CC=CC=C2

Isomeric SMILES

CC(C)[C@@H](C(=O)NN1CC[NH+](CC1)C)NC(=O)CC2=CC=CC=C2

InChI

InChI=1S/C18H28N4O2/c1-14(2)17(18(24)20-22-11-9-21(3)10-12-22)19-16(23)13-15-7-5-4-6-8-15/h4-8,14,17H,9-13H2,1-3H3,(H,19,23)(H,20,24)/p+1/t17-/m0/s1