2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]-N-[(2S)-6-methylheptan-2-yl]ethanamide

Systemtic Name: 2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]-N-[(2S)-6-methylheptan-2-yl]ethanamide Openeye Name: N-[(1S)-1,5-dimethylhexyl]-2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]acetamide CAS Name: 2-[4-(2-methoxyphenyl)-1-piperazin-1-iumyl]-N-[(2S)-6-methylheptan-2-yl]acetamide IUPAC Name: 2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]-N-[(2S)-6-methylheptan-2-yl]acetamide Traditional Name: N-[(1S)-1,5-dimethylhexyl]-2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]acetamide Formula: C21H36N3O2+ MolecularWeight: 362.52944

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCC(C)NC(=O)C[NH+]1CCN(CC1)C2=CC=CC=C2OC

Isomeric SMILES

C[C@@H](CCCC(C)C)NC(=O)C[NH+]1CCN(CC1)C2=CC=CC=C2OC

InChI

InChI=1S/C21H35N3O2/c1-17(2)8-7-9-18(3)22-21(25)16-23-12-14-24(15-13-23)19-10-5-6-11-20(19)26-4/h5-6,10-11,17-18H,7-9,12-16H2,1-4H3,(H,22,25)/p+1/t18-/m0/s1