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

Systemtic Name: N-[(2S)-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-methylpropyl]oxazole-4-carboxamide CAS Name: N-[(2S)-butan-2-yl]-2-[[4-(phenylmethyl)-1-piperazin-1-iumyl]methyl]-4-oxazolecarboxamide IUPAC Name: 2-[(4-benzylpiperazin-1-ium-1-yl)methyl]-N-[(2S)-butan-2-yl]-1,3-oxazole-4-carboxamide Traditional Name: 2-[(4-benzylpiperazin-1-ium-1-yl)methyl]-N-[(1S)-1-methylpropyl]oxazole-4-carboxamide Formula: C20H29N4O2+ MolecularWeight: 357.46986

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H28N4O2/c1-3-16(2)21-20(25)18-15-26-19(22-18)14-24-11-9-23(10-12-24)13-17-7-5-4-6-8-17/h4-8,15-16H,3,9-14H2,1-2H3,(H,21,25)/p+1/t16-/m0/s1