2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]-N-(3-methylbutylcarbamoyl)ethanamide

Systemtic Name: 2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]-N-(3-methylbutylcarbamoyl)ethanamide Openeye Name: N-(isopentylcarbamoyl)-2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]acetamide CAS Name: 2-[4-(3-methoxyphenyl)-1-piperazin-1-iumyl]-N-[(3-methylbutylamino)-oxomethyl]acetamide IUPAC Name: 2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]-N-(3-methylbutylcarbamoyl)acetamide Traditional Name: N-(isoamylcarbamoyl)-2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]acetamide Formula: C19H31N4O3+ MolecularWeight: 363.47444

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC(=O)NC(=O)C[NH+]1CCN(CC1)C2=CC(=CC=C2)OC

Isomeric SMILES

CC(C)CCNC(=O)NC(=O)C[NH+]1CCN(CC1)C2=CC(=CC=C2)OC

InChI

InChI=1S/C19H30N4O3/c1-15(2)7-8-20-19(25)21-18(24)14-22-9-11-23(12-10-22)16-5-4-6-17(13-16)26-3/h4-6,13,15H,7-12,14H2,1-3H3,(H2,20,21,24,25)/p+1