[1-[1-(1H-indol-2-ylmethyl)piperidin-1-ium-4-yl]-1,2,3-triazol-4-yl]-morpholin-4-yl-methanone

Systemtic Name: [1-[1-(1H-indol-2-ylmethyl)piperidin-1-ium-4-yl]-1,2,3-triazol-4-yl]-morpholin-4-yl-methanone Openeye Name: [1-[1-(1H-indol-2-ylmethyl)piperidin-1-ium-4-yl]triazol-4-yl]-morpholino-methanone CAS Name: [1-[1-(1H-indol-2-ylmethyl)-4-piperidin-1-iumyl]-4-triazolyl]-(4-morpholinyl)methanone IUPAC Name: [1-[1-(1H-indol-2-ylmethyl)piperidin-1-ium-4-yl]triazol-4-yl]-morpholin-4-ylmethanone Traditional Name: [1-[1-(1H-indol-2-ylmethyl)piperidin-1-ium-4-yl]triazol-4-yl]-morpholino-methanone Formula: C21H27N6O2+ MolecularWeight: 395.47808

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1N2C=C(N=N2)C(=O)N3CCOCC3)CC4=CC5=CC=CC=C5N4

Isomeric SMILES

C1C[NH+](CCC1N2C=C(N=N2)C(=O)N3CCOCC3)CC4=CC5=CC=CC=C5N4

InChI

InChI=1S/C21H26N6O2/c28-21(26-9-11-29-12-10-26)20-15-27(24-23-20)18-5-7-25(8-6-18)14-17-13-16-3-1-2-4-19(16)22-17/h1-4,13,15,18,22H,5-12,14H2/p+1