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

Systemtic Name: 2-[[4-(phenylmethyl)piperazin-1-ium-1-yl]methyl]-N-(3-propan-2-yloxypropyl)-1,3-oxazole-4-carboxamide Openeye Name: 2-[(4-benzylpiperazin-1-ium-1-yl)methyl]-N-(3-isopropoxypropyl)oxazole-4-carboxamide CAS Name: 2-[[4-(phenylmethyl)-1-piperazin-1-iumyl]methyl]-N-(3-propan-2-yloxypropyl)-4-oxazolecarboxamide IUPAC Name: 2-[(4-benzylpiperazin-1-ium-1-yl)methyl]-N-(3-propan-2-yloxypropyl)-1,3-oxazole-4-carboxamide Traditional Name: 2-[(4-benzylpiperazin-1-ium-1-yl)methyl]-N-(3-isopropoxypropyl)oxazole-4-carboxamide Formula: C22H33N4O3+ MolecularWeight: 401.52242

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H32N4O3/c1-18(2)28-14-6-9-23-22(27)20-17-29-21(24-20)16-26-12-10-25(11-13-26)15-19-7-4-3-5-8-19/h3-5,7-8,17-18H,6,9-16H2,1-2H3,(H,23,27)/p+1