4-[(2R)-2-(benzotriazol-1-yl)-2-phenylsulfanyl-ethyl]morpholin-4-ium

Systemtic Name: 4-[(2R)-2-(benzotriazol-1-yl)-2-phenylsulfanyl-ethyl]morpholin-4-ium Openeye Name: 4-[(2R)-2-(benzotriazol-1-yl)-2-phenylsulfanyl-ethyl]morpholin-4-ium CAS Name: 4-[(2R)-2-(1-benzotriazolyl)-2-(phenylthio)ethyl]morpholin-4-ium IUPAC Name: 4-[(2R)-2-(benzotriazol-1-yl)-2-phenylsulfanylethyl]morpholin-4-ium Traditional Name: 4-[(2R)-2-(benzotriazol-1-yl)-2-(phenylthio)ethyl]morpholin-4-ium Formula: C18H21N4OS+ MolecularWeight: 341.45054

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CC(N2C3=CC=CC=C3N=N2)SC4=CC=CC=C4

Isomeric SMILES

C1COCC[NH+]1C[C@H](N2C3=CC=CC=C3N=N2)SC4=CC=CC=C4

InChI

InChI=1S/C18H20N4OS/c1-2-6-15(7-3-1)24-18(14-21-10-12-23-13-11-21)22-17-9-5-4-8-16(17)19-20-22/h1-9,18H,10-14H2/p+1/t18-/m1/s1