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

Systemtic Name: 3-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]-1H-indole Openeye Name: 3-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]-1H-indole CAS Name: 3-[[4-(2-pyridin-1-iumyl)-1-piperazin-1-iumyl]methyl]-1H-indole IUPAC Name: 3-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]-1H-indole Traditional Name: 3-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]-1H-indole Formula: C18H22N4+2 MolecularWeight: 294.39408

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CNC3=CC=CC=C32)C4=CC=CC=[NH+]4

Isomeric SMILES

C1CN(CC[NH+]1CC2=CNC3=CC=CC=C32)C4=CC=CC=[NH+]4

InChI

InChI=1S/C18H20N4/c1-2-6-17-16(5-1)15(13-20-17)14-21-9-11-22(12-10-21)18-7-3-4-8-19-18/h1-8,13,20H,9-12,14H2/p+2