1-[1-[3-(1-methylindol-3-yl)-1,2,4-triazol-1-yl]piperidin-1-ium-1-yl]ethanone

Systemtic Name: 1-[1-[3-(1-methylindol-3-yl)-1,2,4-triazol-1-yl]piperidin-1-ium-1-yl]ethanone Openeye Name: 1-[1-[3-(1-methylindol-3-yl)-1,2,4-triazol-1-yl]piperidin-1-ium-1-yl]ethanone CAS Name: 1-[1-[3-(1-methyl-3-indolyl)-1,2,4-triazol-1-yl]-1-piperidin-1-iumyl]ethanone IUPAC Name: 1-[1-[3-(1-methylindol-3-yl)-1,2,4-triazol-1-yl]piperidin-1-ium-1-yl]ethanone Traditional Name: 1-[1-[3-(1-methylindol-3-yl)-1,2,4-triazol-1-yl]piperidin-1-ium-1-yl]ethanone Formula: C18H22N5O+ MolecularWeight: 324.40018

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)[N+]1(CCCCC1)N2C=NC(=N2)C3=CN(C4=CC=CC=C43)C

Isomeric SMILES

CC(=O)[N+]1(CCCCC1)N2C=NC(=N2)C3=CN(C4=CC=CC=C43)C

InChI

InChI=1S/C18H22N5O/c1-14(24)23(10-6-3-7-11-23)22-13-19-18(20-22)16-12-21(2)17-9-5-4-8-15(16)17/h4-5,8-9,12-13H,3,6-7,10-11H2,1-2H3/q+1