tert-butyl 2-(1-methanoyl-4,7,10-triaza-1-azoniacyclododec-1-yl)ethanoate

Systemtic Name: tert-butyl 2-(1-methanoyl-4,7,10-triaza-1-azoniacyclododec-1-yl)ethanoate Openeye Name: tert-butyl 2-(1-formyl-4,7,10-triaza-1-azoniacyclododec-1-yl)acetate CAS Name: 2-(1-formyl-4,7,10-triaza-1-azoniacyclododec-1-yl)acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-(1-formyl-4,7,10-triaza-1-azoniacyclododec-1-yl)acetate Traditional Name: 2-(1-formyl-4,7,10-triaza-1-azoniacyclododec-1-yl)acetic acid tert-butyl ester Formula: C15H31N4O3+ MolecularWeight: 315.43164

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C[N+]1(CCNCCNCCNCC1)C=O

Isomeric SMILES

CC(C)(C)OC(=O)C[N+]1(CCNCCNCCNCC1)C=O

InChI

InChI=1S/C15H31N4O3/c1-15(2,3)22-14(21)12-19(13-20)10-8-17-6-4-16-5-7-18-9-11-19/h13,16-18H,4-12H2,1-3H3/q+1