(5-butyl-6-propyl-henicosan-5-yl)azanium; (5-butyl-6-propyl-icosan-5-yl)azanium

Systemtic Name: (5-butyl-6-propyl-henicosan-5-yl)azanium; (5-butyl-6-propyl-icosan-5-yl)azanium Openeye Name: (1,1-dibutyl-2-propyl-heptadecyl)ammonium; (1,1-dibutyl-2-propyl-hexadecyl)ammonium CAS Name: (5-butyl-6-propyleicosan-5-yl)ammonium; (5-butyl-6-propylheneicosan-5-yl)ammonium IUPAC Name: (5-butyl-6-propylhenicosan-5-yl)azanium; (5-butyl-6-propylicosan-5-yl)azanium Traditional Name: (1,1-dibutyl-2-propyl-heptadecyl)ammonium; (1,1-dibutyl-2-propyl-hexadecyl)ammonium Formula: C55H118N2+2 MolecularWeight: 807.53882

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(CCC)C(CCCC)(CCCC)[NH3+].CCCCCCCCCCCCCCC(CCC)C(CCCC)(CCCC)[NH3+]

Isomeric SMILES

CCCCCCCCCCCCCCCC(CCC)C(CCCC)(CCCC)[NH3+].CCCCCCCCCCCCCCC(CCC)C(CCCC)(CCCC)[NH3+]

InChI

InChI=1S/C28H59N.C27H57N/c1-5-9-12-13-14-15-16-17-18-19-20-21-22-24-27(23-8-4)28(29,25-10-6-2)26-11-7-3;1-5-9-12-13-14-15-16-17-18-19-20-21-23-26(22-8-4)27(28,24-10-6-2)25-11-7-3/h27H,5-26,29H2,1-4H3;26H,5-25,28H2,1-4H3/p+2