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

Systemtic Name: N-methyl-N-(3-methylbutyl)-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-isopentyl-N-methyl-oxazole-4-carboxamide CAS Name: N-methyl-N-(3-methylbutyl)-2-[[4-(phenylmethyl)-1-piperazin-1-iumyl]methyl]-4-oxazolecarboxamide IUPAC Name: 2-[(4-benzylpiperazin-1-ium-1-yl)methyl]-N-methyl-N-(3-methylbutyl)-1,3-oxazole-4-carboxamide Traditional Name: 2-[(4-benzylpiperazin-1-ium-1-yl)methyl]-N-isoamyl-N-methyl-oxazole-4-carboxamide Formula: C22H33N4O2+ MolecularWeight: 385.52302

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H32N4O2/c1-18(2)9-10-24(3)22(27)20-17-28-21(23-20)16-26-13-11-25(12-14-26)15-19-7-5-4-6-8-19/h4-8,17-18H,9-16H2,1-3H3/p+1