N-(2-ethoxyphenyl)-2-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(2-ethoxyphenyl)-2-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(2-ethoxyphenyl)-2-[4-[(3-isopropyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-ium-1-yl]acetamide CAS Name: N-(2-ethoxyphenyl)-2-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(2-ethoxyphenyl)-2-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-ium-1-yl]acetamide Traditional Name: 2-[4-[(3-isopropyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-ium-1-yl]-N-o-phenetyl-acetamide Formula: C20H30N5O3+ MolecularWeight: 388.4839

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1NC(=O)C[NH+]2CCN(CC2)CC3=NC(=NO3)C(C)C

Isomeric SMILES

CCOC1=CC=CC=C1NC(=O)C[NH+]2CCN(CC2)CC3=NC(=NO3)C(C)C

InChI

InChI=1S/C20H29N5O3/c1-4-27-17-8-6-5-7-16(17)21-18(26)13-24-9-11-25(12-10-24)14-19-22-20(15(2)3)23-28-19/h5-8,15H,4,9-14H2,1-3H3,(H,21,26)/p+1