3-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]-1H-indole

Systemtic Name: 3-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]-1H-indole Openeye Name: 3-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]-1H-indole CAS Name: 3-[[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]methyl]-1H-indole IUPAC Name: 3-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]-1H-indole Traditional Name: 3-[[4-(2-pyrimidyl)piperazin-1-ium-1-yl]methyl]-1H-indole Formula: C17H20N5+ MolecularWeight: 294.3742

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CNC3=CC=CC=C32)C4=NC=CC=N4

Isomeric SMILES

C1CN(CC[NH+]1CC2=CNC3=CC=CC=C32)C4=NC=CC=N4

InChI

InChI=1S/C17H19N5/c1-2-5-16-15(4-1)14(12-20-16)13-21-8-10-22(11-9-21)17-18-6-3-7-19-17/h1-7,12,20H,8-11,13H2/p+1