butan-1-ol; 6-chloranyl-N4-heptyl-heptane-1,2,4-triamine

Systemtic Name: butan-1-ol; 6-chloranyl-N4-heptyl-heptane-1,2,4-triamine Openeye Name: butan-1-ol; 6-chloro-N4-heptyl-heptane-1,2,4-triamine CAS Name: 1-butanol; 6-chloro-N4-heptylheptane-1,2,4-triamine IUPAC Name: butan-1-ol; 6-chloro-4-N-heptylheptane-1,2,4-triamine Traditional Name: butan-1-ol; [3,4-diamino-1-(2-chloropropyl)butyl]-heptyl-amine Formula: C18H42ClN3O MolecularWeight: 351.99858

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCNC(CC(C)Cl)CC(CN)N.CCCCO

Isomeric SMILES

CCCCCCCNC(CC(C)Cl)CC(CN)N.CCCCO

InChI

InChI=1S/C14H32ClN3.C4H10O/c1-3-4-5-6-7-8-18-14(9-12(2)15)10-13(17)11-16;1-2-3-4-5/h12-14,18H,3-11,16-17H2,1-2H3;5H,2-4H2,1H3