4-[(1R,3R)-1-(benzotriazol-1-yl)-1-ethoxy-4-methyl-pentan-3-yl]morpholin-4-ium

Systemtic Name: 4-[(1R,3R)-1-(benzotriazol-1-yl)-1-ethoxy-4-methyl-pentan-3-yl]morpholin-4-ium Openeye Name: 4-[(1R,3R)-3-(benzotriazol-1-yl)-3-ethoxy-1-isopropyl-propyl]morpholin-4-ium CAS Name: 4-[(1R,3R)-1-(1-benzotriazolyl)-1-ethoxy-4-methylpentan-3-yl]morpholin-4-ium IUPAC Name: 4-[(1R,3R)-1-(benzotriazol-1-yl)-1-ethoxy-4-methylpentan-3-yl]morpholin-4-ium Traditional Name: 4-[(1R,3R)-3-(benzotriazol-1-yl)-3-ethoxy-1-isopropyl-propyl]morpholin-4-ium Formula: C18H29N4O2+ MolecularWeight: 333.44846

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(CC(C(C)C)[NH+]1CCOCC1)N2C3=CC=CC=C3N=N2

Isomeric SMILES

CCO[C@H](C[C@H](C(C)C)[NH+]1CCOCC1)N2C3=CC=CC=C3N=N2

InChI

InChI=1S/C18H28N4O2/c1-4-24-18(22-16-8-6-5-7-15(16)19-20-22)13-17(14(2)3)21-9-11-23-12-10-21/h5-8,14,17-18H,4,9-13H2,1-3H3/p+1/t17-,18-/m1/s1