N-(5-methyl-1,2-oxazol-3-yl)-2-[4-[(4-propan-2-ylphenyl)methyl]piperazine-1,4-diium-1-yl]ethanamide

Systemtic Name: N-(5-methyl-1,2-oxazol-3-yl)-2-[4-[(4-propan-2-ylphenyl)methyl]piperazine-1,4-diium-1-yl]ethanamide Openeye Name: 2-[4-[(4-isopropylphenyl)methyl]piperazine-1,4-diium-1-yl]-N-(5-methylisoxazol-3-yl)acetamide CAS Name: N-(5-methyl-3-isoxazolyl)-2-[4-[(4-propan-2-ylphenyl)methyl]-1-piperazine-1,4-diiumyl]acetamide IUPAC Name: N-(5-methyl-1,2-oxazol-3-yl)-2-[4-[(4-propan-2-ylphenyl)methyl]piperazine-1,4-diium-1-yl]acetamide Traditional Name: 2-[4-(4-isopropylbenzyl)piperazine-1,4-diium-1-yl]-N-(5-methylisoxazol-3-yl)acetamide Formula: C20H30N4O2+2 MolecularWeight: 358.4778

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)NC(=O)C[NH+]2CC[NH+](CC2)CC3=CC=C(C=C3)C(C)C

Isomeric SMILES

CC1=CC(=NO1)NC(=O)C[NH+]2CC[NH+](CC2)CC3=CC=C(C=C3)C(C)C

InChI

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