tert-butyl N-[(E)-12-[1-[(E)-9-pyridin-3-ylnon-3-enyl]pyridin-1-ium-3-yl]dodec-3-enyl]carbamate

Systemtic Name: tert-butyl N-[(E)-12-[1-[(E)-9-pyridin-3-ylnon-3-enyl]pyridin-1-ium-3-yl]dodec-3-enyl]carbamate Openeye Name: tert-butyl N-[(E)-12-[1-[(E)-9-(3-pyridyl)non-3-enyl]pyridin-1-ium-3-yl]dodec-3-enyl]carbamate CAS Name: N-[(E)-12-[1-[(E)-9-(3-pyridinyl)non-3-enyl]-3-pyridin-1-iumyl]dodec-3-enyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(E)-12-[1-[(E)-9-pyridin-3-ylnon-3-enyl]pyridin-1-ium-3-yl]dodec-3-enyl]carbamate Traditional Name: N-[(E)-12-[1-[(E)-9-(3-pyridyl)non-3-enyl]pyridin-1-ium-3-yl]dodec-3-enyl]carbamic acid tert-butyl ester Formula: C36H56N3O2+ MolecularWeight: 562.84874

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCCC=CCCCCCCCCC1=C[N+](=CC=C1)CCC=CCCCCCC2=CN=CC=C2

Isomeric SMILES

CC(C)(C)OC(=O)NCC/C=C/CCCCCCCCC1=C[N+](=CC=C1)CC/C=C/CCCCCC2=CN=CC=C2

InChI

InChI=1S/C36H55N3O2/c1-36(2,3)41-35(40)38-28-19-15-11-7-5-4-6-9-14-18-24-34-26-22-30-39(32-34)29-20-16-12-8-10-13-17-23-33-25-21-27-37-31-33/h11-12,15-16,21-22,25-27,30-32H,4-10,13-14,17-20,23-24,28-29H2,1-3H3/p+1/b15-11+,16-12+