2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]-N-[[(2S)-oxolan-2-yl]methyl]ethanamide

Systemtic Name: 2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]-N-[[(2S)-oxolan-2-yl]methyl]ethanamide Openeye Name: 2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]-N-[[(2S)-tetrahydrofuran-2-yl]methyl]acetamide CAS Name: 2-[4-(2,3-dimethylphenyl)-1-piperazin-1-iumyl]-N-[[(2S)-2-oxolanyl]methyl]acetamide IUPAC Name: 2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide Traditional Name: 2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]-N-[[(2S)-tetrahydrofuran-2-yl]methyl]acetamide Formula: C19H30N3O2+ MolecularWeight: 332.4604

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CC[NH+](CC2)CC(=O)NCC3CCCO3)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2CC[NH+](CC2)CC(=O)NC[C@@H]3CCCO3)C

InChI

InChI=1S/C19H29N3O2/c1-15-5-3-7-18(16(15)2)22-10-8-21(9-11-22)14-19(23)20-13-17-6-4-12-24-17/h3,5,7,17H,4,6,8-14H2,1-2H3,(H,20,23)/p+1/t17-/m0/s1