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

Systemtic Name: 2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]-N-[(2R)-2-phenylpropyl]ethanamide Openeye Name: 2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]-N-[(2R)-2-phenylpropyl]acetamide CAS Name: 2-[4-(2,3-dimethylphenyl)-1-piperazin-1-iumyl]-N-[(2R)-2-phenylpropyl]acetamide IUPAC Name: 2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]-N-[(2R)-2-phenylpropyl]acetamide Traditional Name: 2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]-N-[(2R)-2-phenylpropyl]acetamide Formula: C23H32N3O+ MolecularWeight: 366.51968

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CC[NH+](CC2)CC(=O)NCC(C)C3=CC=CC=C3)C

Isomeric SMILES

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

InChI

InChI=1S/C23H31N3O/c1-18-8-7-11-22(20(18)3)26-14-12-25(13-15-26)17-23(27)24-16-19(2)21-9-5-4-6-10-21/h4-11,19H,12-17H2,1-3H3,(H,24,27)/p+1/t19-/m0/s1