5-indol-3-ylidene-2-(morpholin-4-ium-4-ylmethyl)-4-[[(2S)-oxolan-2-yl]methyl]-1,2,4-triazolidine-3-thione

Systemtic Name: 5-indol-3-ylidene-2-(morpholin-4-ium-4-ylmethyl)-4-[[(2S)-oxolan-2-yl]methyl]-1,2,4-triazolidine-3-thione Openeye Name: 5-indol-3-ylidene-2-(morpholin-4-ium-4-ylmethyl)-4-[[(2S)-tetrahydrofuran-2-yl]methyl]-1,2,4-triazolidine-3-thione CAS Name: 5-(3-indolylidene)-2-(4-morpholin-4-iumylmethyl)-4-[[(2S)-2-oxolanyl]methyl]-1,2,4-triazolidine-3-thione IUPAC Name: 5-indol-3-ylidene-2-(morpholin-4-ium-4-ylmethyl)-4-[[(2S)-oxolan-2-yl]methyl]-1,2,4-triazolidine-3-thione Traditional Name: 5-indol-3-ylidene-2-(morpholin-4-ium-4-ylmethyl)-4-[[(2S)-tetrahydrofuran-2-yl]methyl]-1,2,4-triazolidine-3-thione Formula: C20H26N5O2S+ MolecularWeight: 400.51774

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CN2C(=C3C=NC4=CC=CC=C43)NN(C2=S)C[NH+]5CCOCC5

Isomeric SMILES

C1C[C@H](OC1)CN2C(=C3C=NC4=CC=CC=C43)NN(C2=S)C[NH+]5CCOCC5

InChI

InChI=1S/C20H25N5O2S/c28-20-24(13-15-4-3-9-27-15)19(17-12-21-18-6-2-1-5-16(17)18)22-25(20)14-23-7-10-26-11-8-23/h1-2,5-6,12,15,22H,3-4,7-11,13-14H2/p+1/t15-/m0/s1