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

Systemtic Name: 2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]ethanamide Openeye Name: 2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)-N-[(1S)-tetralin-1-yl]acetamide CAS Name: 2-[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide IUPAC Name: 2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide Traditional Name: 2-[4-(2-pyrimidyl)piperazin-1-ium-1-yl]-N-[(1S)-tetralin-1-yl]acetamide Formula: C20H26N5O+ MolecularWeight: 352.45334

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C2=CC=CC=C2C1)NC(=O)C[NH+]3CCN(CC3)C4=NC=CC=N4

Isomeric SMILES

C1C[C@@H](C2=CC=CC=C2C1)NC(=O)C[NH+]3CCN(CC3)C4=NC=CC=N4

InChI

InChI=1S/C20H25N5O/c26-19(23-18-8-3-6-16-5-1-2-7-17(16)18)15-24-11-13-25(14-12-24)20-21-9-4-10-22-20/h1-2,4-5,7,9-10,18H,3,6,8,11-15H2,(H,23,26)/p+1/t18-/m0/s1