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

Systemtic Name: (2S)-2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]-N-(2-phenylphenyl)propanamide Openeye Name: (2S)-2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]-N-(2-phenylphenyl)propanamide CAS Name: (2S)-2-[4-(2,3-dimethylphenyl)-1-piperazin-1-iumyl]-N-(2-phenylphenyl)propanamide IUPAC Name: (2S)-2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]-N-(2-phenylphenyl)propanamide Traditional Name: (2S)-2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]-N-(2-phenylphenyl)propionamide Formula: C27H32N3O+ MolecularWeight: 414.56248

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CC[NH+](CC2)C(C)C(=O)NC3=CC=CC=C3C4=CC=CC=C4)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2CC[NH+](CC2)[C@@H](C)C(=O)NC3=CC=CC=C3C4=CC=CC=C4)C

InChI

InChI=1S/C27H31N3O/c1-20-10-9-15-26(21(20)2)30-18-16-29(17-19-30)22(3)27(31)28-25-14-8-7-13-24(25)23-11-5-4-6-12-23/h4-15,22H,16-19H2,1-3H3,(H,28,31)/p+1/t22-/m0/s1