N-[(1S)-1-(3,4-dimethylphenyl)ethyl]-2-(4-phenylpiperazin-1-ium-1-yl)ethanamide

Systemtic Name: N-[(1S)-1-(3,4-dimethylphenyl)ethyl]-2-(4-phenylpiperazin-1-ium-1-yl)ethanamide Openeye Name: N-[(1S)-1-(3,4-dimethylphenyl)ethyl]-2-(4-phenylpiperazin-1-ium-1-yl)acetamide CAS Name: N-[(1S)-1-(3,4-dimethylphenyl)ethyl]-2-(4-phenyl-1-piperazin-1-iumyl)acetamide IUPAC Name: N-[(1S)-1-(3,4-dimethylphenyl)ethyl]-2-(4-phenylpiperazin-1-ium-1-yl)acetamide Traditional Name: N-[(1S)-1-(3,4-dimethylphenyl)ethyl]-2-(4-phenylpiperazin-1-ium-1-yl)acetamide Formula: C22H30N3O+ MolecularWeight: 352.4931

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(C)NC(=O)C[NH+]2CCN(CC2)C3=CC=CC=C3)C

Isomeric SMILES

CC1=C(C=C(C=C1)[C@H](C)NC(=O)C[NH+]2CCN(CC2)C3=CC=CC=C3)C

InChI

InChI=1S/C22H29N3O/c1-17-9-10-20(15-18(17)2)19(3)23-22(26)16-24-11-13-25(14-12-24)21-7-5-4-6-8-21/h4-10,15,19H,11-14,16H2,1-3H3,(H,23,26)/p+1/t19-/m0/s1