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

Systemtic Name: N-(3-methylbutylcarbamoyl)-2-[4-[(3-methylphenyl)methyl]piperazine-1,4-diium-1-yl]ethanamide Openeye Name: N-(isopentylcarbamoyl)-2-[4-(m-tolylmethyl)piperazine-1,4-diium-1-yl]acetamide CAS Name: N-[(3-methylbutylamino)-oxomethyl]-2-[4-[(3-methylphenyl)methyl]-1-piperazine-1,4-diiumyl]acetamide IUPAC Name: N-(3-methylbutylcarbamoyl)-2-[4-[(3-methylphenyl)methyl]piperazine-1,4-diium-1-yl]acetamide Traditional Name: N-(isoamylcarbamoyl)-2-[4-(3-methylbenzyl)piperazine-1,4-diium-1-yl]acetamide Formula: C20H34N4O2+2 MolecularWeight: 362.50956

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H32N4O2/c1-16(2)7-8-21-20(26)22-19(25)15-24-11-9-23(10-12-24)14-18-6-4-5-17(3)13-18/h4-6,13,16H,7-12,14-15H2,1-3H3,(H2,21,22,25,26)/p+2