1-[2-(1H-indol-3-yl)ethyl]-3-[(2-morpholin-4-ylpyridin-1-ium-3-yl)methyl]urea

Systemtic Name: 1-[2-(1H-indol-3-yl)ethyl]-3-[(2-morpholin-4-ylpyridin-1-ium-3-yl)methyl]urea Openeye Name: 1-[2-(1H-indol-3-yl)ethyl]-3-[(2-morpholinopyridin-1-ium-3-yl)methyl]urea CAS Name: 1-[2-(1H-indol-3-yl)ethyl]-3-[[2-(4-morpholinyl)-3-pyridin-1-iumyl]methyl]urea IUPAC Name: 1-[2-(1H-indol-3-yl)ethyl]-3-[(2-morpholin-4-ylpyridin-1-ium-3-yl)methyl]urea Traditional Name: 1-[2-(1H-indol-3-yl)ethyl]-3-[(2-morpholinopyridin-1-ium-3-yl)methyl]urea Formula: C21H26N5O2+ MolecularWeight: 380.46344

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=C(C=CC=[NH+]2)CNC(=O)NCCC3=CNC4=CC=CC=C43

Isomeric SMILES

C1COCCN1C2=C(C=CC=[NH+]2)CNC(=O)NCCC3=CNC4=CC=CC=C43

InChI

InChI=1S/C21H25N5O2/c27-21(23-9-7-16-14-24-19-6-2-1-5-18(16)19)25-15-17-4-3-8-22-20(17)26-10-12-28-13-11-26/h1-6,8,14,24H,7,9-13,15H2,(H2,23,25,27)/p+1