tert-butyl 4-(imidazol-1-ylmethyl)-1,4-diazepan-4-ium-1-carboxylate

Systemtic Name: tert-butyl 4-(imidazol-1-ylmethyl)-1,4-diazepan-4-ium-1-carboxylate Openeye Name: tert-butyl 4-(imidazol-1-ylmethyl)-1,4-diazepan-4-ium-1-carboxylate CAS Name: 4-(1-imidazolylmethyl)-1,4-diazepan-4-ium-1-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(imidazol-1-ylmethyl)-1,4-diazepan-4-ium-1-carboxylate Traditional Name: 4-(imidazol-1-ylmethyl)-1,4-diazepan-4-ium-1-carboxylic acid tert-butyl ester Formula: C14H25N4O2+ MolecularWeight: 281.3739

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC[NH+](CC1)CN2C=CN=C2

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC[NH+](CC1)CN2C=CN=C2

InChI

InChI=1S/C14H24N4O2/c1-14(2,3)20-13(19)18-7-4-6-16(9-10-18)12-17-8-5-15-11-17/h5,8,11H,4,6-7,9-10,12H2,1-3H3/p+1