4-[(1R,3R)-3-(benzotriazol-2-yl)-3-ethoxy-1-phenyl-propyl]morpholin-4-ium

Systemtic Name: 4-[(1R,3R)-3-(benzotriazol-2-yl)-3-ethoxy-1-phenyl-propyl]morpholin-4-ium Openeye Name: 4-[(1R,3R)-3-(benzotriazol-2-yl)-3-ethoxy-1-phenyl-propyl]morpholin-4-ium CAS Name: 4-[(1R,3R)-3-(2-benzotriazolyl)-3-ethoxy-1-phenylpropyl]morpholin-4-ium IUPAC Name: 4-[(1R,3R)-3-(benzotriazol-2-yl)-3-ethoxy-1-phenylpropyl]morpholin-4-ium Traditional Name: 4-[(1R,3R)-3-(benzotriazol-2-yl)-3-ethoxy-1-phenyl-propyl]morpholin-4-ium Formula: C21H27N4O2+ MolecularWeight: 367.46468

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(CC(C1=CC=CC=C1)[NH+]2CCOCC2)N3N=C4C=CC=CC4=N3

Isomeric SMILES

CCO[C@H](C[C@H](C1=CC=CC=C1)[NH+]2CCOCC2)N3N=C4C=CC=CC4=N3

InChI

InChI=1S/C21H26N4O2/c1-2-27-21(25-22-18-10-6-7-11-19(18)23-25)16-20(17-8-4-3-5-9-17)24-12-14-26-15-13-24/h3-11,20-21H,2,12-16H2,1H3/p+1/t20-,21-/m1/s1