(5-butyl-6-prop-2-enyl-henicosan-5-yl)azanium; (5-butyl-6-prop-2-enyl-icosan-5-yl)azanium

Systemtic Name: (5-butyl-6-prop-2-enyl-henicosan-5-yl)azanium; (5-butyl-6-prop-2-enyl-icosan-5-yl)azanium Openeye Name: (2-allyl-1,1-dibutyl-heptadecyl)ammonium; (2-allyl-1,1-dibutyl-hexadecyl)ammonium CAS Name: (5-butyl-6-prop-2-enyleicosan-5-yl)ammonium; (5-butyl-6-prop-2-enylheneicosan-5-yl)ammonium IUPAC Name: (5-butyl-6-prop-2-enylhenicosan-5-yl)azanium; (5-butyl-6-prop-2-enylicosan-5-yl)azanium Traditional Name: (1,1-dibutyl-2-myristyl-pent-4-enyl)ammonium; (1,1-dibutyl-2-pentadecyl-pent-4-enyl)ammonium Formula: C55H114N2+2 MolecularWeight: 803.50706

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(CC=C)C(CCCC)(CCCC)[NH3+].CCCCCCCCCCCCCCC(CC=C)C(CCCC)(CCCC)[NH3+]

Isomeric SMILES

CCCCCCCCCCCCCCCC(CC=C)C(CCCC)(CCCC)[NH3+].CCCCCCCCCCCCCCC(CC=C)C(CCCC)(CCCC)[NH3+]

InChI

InChI=1S/C28H57N.C27H55N/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/h8,27H,4-7,9-26,29H2,1-3H3;8,26H,4-7,9-25,28H2,1-3H3/p+2