bis(azanyl)methylidene-[5-(decylamino)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxidanylidene-pentyl]azanium

Systemtic Name: bis(azanyl)methylidene-[5-(decylamino)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxidanylidene-pentyl]azanium Openeye Name: [4-(tert-butoxycarbonylamino)-5-(decylamino)-5-oxo-pentyl]-(diaminomethylene)ammonium CAS Name: [5-(decylamino)-4-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-5-oxopentyl]-(diaminomethylidene)ammonium IUPAC Name: [5-(decylamino)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentyl]-(diaminomethylidene)azanium Traditional Name: [4-(tert-butoxycarbonylamino)-5-(decylamino)-5-keto-pentyl]-(diaminomethylene)ammonium Formula: C21H44N5O3+ MolecularWeight: 414.60576

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCNC(=O)C(CCC[NH+]=C(N)N)NC(=O)OC(C)(C)C

Isomeric SMILES

CCCCCCCCCCNC(=O)C(CCC[NH+]=C(N)N)NC(=O)OC(C)(C)C

InChI

InChI=1S/C21H43N5O3/c1-5-6-7-8-9-10-11-12-15-24-18(27)17(14-13-16-25-19(22)23)26-20(28)29-21(2,3)4/h17H,5-16H2,1-4H3,(H,24,27)(H,26,28)(H4,22,23,25)/p+1