2-[4-[(3-methylphenyl)methyl]piperazine-1,4-diium-1-yl]-N-(propan-2-ylcarbamoyl)ethanamide

Systemtic Name: 2-[4-[(3-methylphenyl)methyl]piperazine-1,4-diium-1-yl]-N-(propan-2-ylcarbamoyl)ethanamide Openeye Name: N-(isopropylcarbamoyl)-2-[4-(m-tolylmethyl)piperazine-1,4-diium-1-yl]acetamide CAS Name: 2-[4-[(3-methylphenyl)methyl]-1-piperazine-1,4-diiumyl]-N-[oxo-(propan-2-ylamino)methyl]acetamide IUPAC Name: 2-[4-[(3-methylphenyl)methyl]piperazine-1,4-diium-1-yl]-N-(propan-2-ylcarbamoyl)acetamide Traditional Name: N-(isopropylcarbamoyl)-2-[4-(3-methylbenzyl)piperazine-1,4-diium-1-yl]acetamide Formula: C18H30N4O2+2 MolecularWeight: 334.4564

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)C[NH+]2CC[NH+](CC2)CC(=O)NC(=O)NC(C)C

Isomeric SMILES

CC1=CC(=CC=C1)C[NH+]2CC[NH+](CC2)CC(=O)NC(=O)NC(C)C

InChI

InChI=1S/C18H28N4O2/c1-14(2)19-18(24)20-17(23)13-22-9-7-21(8-10-22)12-16-6-4-5-15(3)11-16/h4-6,11,14H,7-10,12-13H2,1-3H3,(H2,19,20,23,24)/p+2