(2R)-2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]-N-(2-methylpropyl)propanamide

Systemtic Name: (2R)-2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]-N-(2-methylpropyl)propanamide Openeye Name: (2R)-2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]-N-isobutyl-propanamide CAS Name: (2R)-2-[4-(2,3-dimethylphenyl)-1-piperazin-1-iumyl]-N-(2-methylpropyl)propanamide IUPAC Name: (2R)-2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]-N-(2-methylpropyl)propanamide Traditional Name: (2R)-2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]-N-isobutyl-propionamide Formula: C19H32N3O+ MolecularWeight: 318.47688

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H31N3O/c1-14(2)13-20-19(23)17(5)21-9-11-22(12-10-21)18-8-6-7-15(3)16(18)4/h6-8,14,17H,9-13H2,1-5H3,(H,20,23)/p+1/t17-/m1/s1