[3-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1-(4-ethynylheptan-4-yl)-3-oxidanidyl-imidazolidin-3-ium-4-yl] pent-4-ynoate

Systemtic Name: [3-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1-(4-ethynylheptan-4-yl)-3-oxidanidyl-imidazolidin-3-ium-4-yl] pent-4-ynoate Openeye Name: [3-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1-(1-ethynyl-1-propyl-butyl)-3-oxido-imidazolidin-3-ium-4-yl] pent-4-ynoate CAS Name: 4-pentynoic acid [3-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1-(4-ethynylheptan-4-yl)-3-oxido-4-imidazolidin-3-iumyl] ester IUPAC Name: [3-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1-(4-ethynylheptan-4-yl)-3-oxidoimidazolidin-3-ium-4-yl] pent-4-ynoate Traditional Name: pent-4-ynoic acid [3-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1-(1,1-dipropylprop-2-ynyl)-3-oxido-imidazolidin-3-ium-4-yl] ester Formula: C23H34N4O3S MolecularWeight: 446.60606

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CCC)(C#C)N1CC([N+](C1)(C2=NN=C(S2)C(C)(C)C)[O-])OC(=O)CCC#C

Isomeric SMILES

CCCC(CCC)(C#C)N1CC([N+](C1)(C2=NN=C(S2)C(C)(C)C)[O-])OC(=O)CCC#C

InChI

InChI=1S/C23H34N4O3S/c1-8-12-13-19(28)30-18-16-26(23(11-4,14-9-2)15-10-3)17-27(18,29)21-25-24-20(31-21)22(5,6)7/h1,4,18H,9-10,12-17H2,2-3,5-7H3