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

Systemtic Name: 2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]ethanamide Openeye Name: 2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)-N-[(1S)-tetralin-1-yl]acetamide CAS Name: 2-[4-(2-pyridin-1-iumyl)-1-piperazin-1-iumyl]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide IUPAC Name: 2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide Traditional Name: 2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)-N-[(1S)-tetralin-1-yl]acetamide Formula: C21H28N4O+2 MolecularWeight: 352.47322

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C2=CC=CC=C2C1)NC(=O)C[NH+]3CCN(CC3)C4=CC=CC=[NH+]4

Isomeric SMILES

C1C[C@@H](C2=CC=CC=C2C1)NC(=O)C[NH+]3CCN(CC3)C4=CC=CC=[NH+]4

InChI

InChI=1S/C21H26N4O/c26-21(23-19-9-5-7-17-6-1-2-8-18(17)19)16-24-12-14-25(15-13-24)20-10-3-4-11-22-20/h1-4,6,8,10-11,19H,5,7,9,12-16H2,(H,23,26)/p+2/t19-/m0/s1