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

Systemtic Name: 2-(4-phenylpiperazin-1-ium-1-yl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]ethanamide Openeye Name: 2-(4-phenylpiperazin-1-ium-1-yl)-N-[(1S)-tetralin-1-yl]acetamide CAS Name: 2-(4-phenyl-1-piperazin-1-iumyl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide IUPAC Name: 2-(4-phenylpiperazin-1-ium-1-yl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide Traditional Name: 2-(4-phenylpiperazin-1-ium-1-yl)-N-[(1S)-tetralin-1-yl]acetamide Formula: C22H28N3O+ MolecularWeight: 350.47722

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C2=CC=CC=C2C1)NC(=O)C[NH+]3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

C1C[C@@H](C2=CC=CC=C2C1)NC(=O)C[NH+]3CCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C22H27N3O/c26-22(23-21-12-6-8-18-7-4-5-11-20(18)21)17-24-13-15-25(16-14-24)19-9-2-1-3-10-19/h1-5,7,9-11,21H,6,8,12-17H2,(H,23,26)/p+1/t21-/m0/s1