1-[2-(1H-indol-3-yl)ethyl]-3-[[6-(4-methylpiperazin-4-ium-1-yl)pyridin-3-yl]methyl]urea

Systemtic Name: 1-[2-(1H-indol-3-yl)ethyl]-3-[[6-(4-methylpiperazin-4-ium-1-yl)pyridin-3-yl]methyl]urea Openeye Name: 1-[2-(1H-indol-3-yl)ethyl]-3-[[6-(4-methylpiperazin-4-ium-1-yl)-3-pyridyl]methyl]urea CAS Name: 1-[2-(1H-indol-3-yl)ethyl]-3-[[6-(4-methyl-1-piperazin-4-iumyl)-3-pyridinyl]methyl]urea IUPAC Name: 1-[2-(1H-indol-3-yl)ethyl]-3-[[6-(4-methylpiperazin-4-ium-1-yl)pyridin-3-yl]methyl]urea Traditional Name: 1-[2-(1H-indol-3-yl)ethyl]-3-[[6-(4-methylpiperazin-4-ium-1-yl)-3-pyridyl]methyl]urea Formula: C22H29N6O+ MolecularWeight: 393.50526

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=NC=C(C=C2)CNC(=O)NCCC3=CNC4=CC=CC=C43

Isomeric SMILES

C[NH+]1CCN(CC1)C2=NC=C(C=C2)CNC(=O)NCCC3=CNC4=CC=CC=C43

InChI

InChI=1S/C22H28N6O/c1-27-10-12-28(13-11-27)21-7-6-17(14-25-21)15-26-22(29)23-9-8-18-16-24-20-5-3-2-4-19(18)20/h2-7,14,16,24H,8-13,15H2,1H3,(H2,23,26,29)/p+1