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

Systemtic Name: N-[(2S)-heptan-2-yl]-2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: 2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]-N-[(1S)-1-methylhexyl]acetamide CAS Name: N-[(2S)-heptan-2-yl]-2-[4-(3-methoxyphenyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-[(2S)-heptan-2-yl]-2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]acetamide Traditional Name: 2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]-N-[(1S)-1-methylhexyl]acetamide Formula: C20H34N3O2+ MolecularWeight: 348.50286

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H33N3O2/c1-4-5-6-8-17(2)21-20(24)16-22-11-13-23(14-12-22)18-9-7-10-19(15-18)25-3/h7,9-10,15,17H,4-6,8,11-14,16H2,1-3H3,(H,21,24)/p+1/t17-/m0/s1