N-(2,6-dimethylphenyl)-2-[4-(3-methylbutyl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(2,6-dimethylphenyl)-2-[4-(3-methylbutyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(2,6-dimethylphenyl)-2-(4-isopentylpiperazin-1-ium-1-yl)acetamide CAS Name: N-(2,6-dimethylphenyl)-2-[4-(3-methylbutyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(2,6-dimethylphenyl)-2-[4-(3-methylbutyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(2,6-dimethylphenyl)-2-(4-isoamylpiperazin-1-ium-1-yl)acetamide Formula: C19H32N3O+ MolecularWeight: 318.47688

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H31N3O/c1-15(2)8-9-21-10-12-22(13-11-21)14-18(23)20-19-16(3)6-5-7-17(19)4/h5-7,15H,8-14H2,1-4H3,(H,20,23)/p+1