N-[(2S)-1-azanyl-3-methyl-1-oxidanylidene-butan-2-yl]-2-[[4-(phenylmethyl)piperazin-1-ium-1-yl]methyl]-1,3-oxazole-4-carboxamide

Systemtic Name: N-[(2S)-1-azanyl-3-methyl-1-oxidanylidene-butan-2-yl]-2-[[4-(phenylmethyl)piperazin-1-ium-1-yl]methyl]-1,3-oxazole-4-carboxamide Openeye Name: 2-[(4-benzylpiperazin-1-ium-1-yl)methyl]-N-[(1S)-1-carbamoyl-2-methyl-propyl]oxazole-4-carboxamide CAS Name: N-[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]-2-[[4-(phenylmethyl)-1-piperazin-1-iumyl]methyl]-4-oxazolecarboxamide IUPAC Name: N-[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]-2-[(4-benzylpiperazin-1-ium-1-yl)methyl]-1,3-oxazole-4-carboxamide Traditional Name: 2-[(4-benzylpiperazin-1-ium-1-yl)methyl]-N-[(1S)-1-carbamoyl-2-methyl-propyl]oxazole-4-carboxamide Formula: C21H30N5O3+ MolecularWeight: 400.4946

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)N)NC(=O)C1=COC(=N1)C[NH+]2CCN(CC2)CC3=CC=CC=C3

Isomeric SMILES

CC(C)[C@@H](C(=O)N)NC(=O)C1=COC(=N1)C[NH+]2CCN(CC2)CC3=CC=CC=C3

InChI

InChI=1S/C21H29N5O3/c1-15(2)19(20(22)27)24-21(28)17-14-29-18(23-17)13-26-10-8-25(9-11-26)12-16-6-4-3-5-7-16/h3-7,14-15,19H,8-13H2,1-2H3,(H2,22,27)(H,24,28)/p+1/t19-/m0/s1