tert-butyl 4-(3-azanylpyridin-1-ium-2-yl)-1,4-diazepane-1-carboxylate

Systemtic Name: tert-butyl 4-(3-azanylpyridin-1-ium-2-yl)-1,4-diazepane-1-carboxylate Openeye Name: tert-butyl 4-(3-aminopyridin-1-ium-2-yl)-1,4-diazepane-1-carboxylate CAS Name: 4-(3-amino-2-pyridin-1-iumyl)-1,4-diazepane-1-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(3-aminopyridin-1-ium-2-yl)-1,4-diazepane-1-carboxylate Traditional Name: 4-(3-aminopyridin-1-ium-2-yl)-1,4-diazepane-1-carboxylic acid tert-butyl ester Formula: C15H25N4O2+ MolecularWeight: 293.3846

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCCN(CC1)C2=C(C=CC=[NH+]2)N

Isomeric SMILES

CC(C)(C)OC(=O)N1CCCN(CC1)C2=C(C=CC=[NH+]2)N

InChI

InChI=1S/C15H24N4O2/c1-15(2,3)21-14(20)19-9-5-8-18(10-11-19)13-12(16)6-4-7-17-13/h4,6-7H,5,8-11,16H2,1-3H3/p+1