3-[4-[(3R)-3-(2-methylphenyl)-3-phenyl-propanoyl]piperazin-1-ium-1-yl]propanamide

Systemtic Name: 3-[4-[(3R)-3-(2-methylphenyl)-3-phenyl-propanoyl]piperazin-1-ium-1-yl]propanamide Openeye Name: 3-[4-[(3R)-3-(o-tolyl)-3-phenyl-propanoyl]piperazin-1-ium-1-yl]propanamide CAS Name: 3-[4-[(3R)-3-(2-methylphenyl)-1-oxo-3-phenylpropyl]-1-piperazin-1-iumyl]propanamide IUPAC Name: 3-[4-[(3R)-3-(2-methylphenyl)-3-phenylpropanoyl]piperazin-1-ium-1-yl]propanamide Traditional Name: 3-[4-[(3R)-3-(o-tolyl)-3-phenyl-propanoyl]piperazin-1-ium-1-yl]propionamide Formula: C23H30N3O2+ MolecularWeight: 380.5032

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(CC(=O)N2CC[NH+](CC2)CCC(=O)N)C3=CC=CC=C3

Isomeric SMILES

CC1=CC=CC=C1[C@H](CC(=O)N2CC[NH+](CC2)CCC(=O)N)C3=CC=CC=C3

InChI

InChI=1S/C23H29N3O2/c1-18-7-5-6-10-20(18)21(19-8-3-2-4-9-19)17-23(28)26-15-13-25(14-16-26)12-11-22(24)27/h2-10,21H,11-17H2,1H3,(H2,24,27)/p+1/t21-/m1/s1